ChemFOnt: Showing chemical card for 2-Methoxy-11-oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylic acid (CFc000228930)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 01:55:13 UTC

Chemfont ID

CFc000228930

Molecule Identification

Common Name

2-Methoxy-11-oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylic acid

Definition

2-Methoxy-11-oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylic acid belongs to the class of organic compounds known as pyridopyrimidines. Pyridopyrimidines are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. Based on a literature review very few articles have been published on 2-Methoxy-11-oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylic acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-Methoxy-11-oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylate	Generator
2-Methoxy-11-oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylic acid, sodium salt	HMDB
2-Methoxy-11-oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylic acid	MeSH

Chemical Formula

C₁₄H₁₀N₂O₄

Average Molecular Weight

270.244

Monoisotopic Molecular Weight

270.06405681

IUPAC Name

2-methoxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid

Traditional Name

2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid

CAS Registry Number

Not Available

SMILES

COC1=CC2=C(C=C1)N=C1C=CC(=CN1C2=O)C(O)=O

InChI Identifier

InChI=1S/C14H10N2O4/c1-20-9-3-4-11-10(6-9)13(17)16-7-8(14(18)19)2-5-12(16)15-11/h2-7H,1H3,(H,18,19)

InChI Key

PNVRFQIVLRDFMU-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyridopyrimidines. Pyridopyrimidines are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyridopyrimidines

Sub Class

Not Available

Direct Parent

Pyridopyrimidines

Alternative Parents

Substituents

Diazanaphthalene
Pyridopyrimidine
Quinazoline
Pyridine carboxylic acid
Pyridine carboxylic acid or derivatives
Anisole
Alkyl aryl ether
Pyrimidone
Pyridine
Benzenoid
Pyrimidine
Heteroaromatic compound
Vinylogous amide
Lactam
Monocarboxylic acid or derivatives
Ether
Carboxylic acid
Carboxylic acid derivative
Azacycle
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.2 g/L	ALOGPS
logP	1.27	ALOGPS
logP	0.33	ChemAxon
logS	-3.1	ALOGPS
pKa (Strongest Acidic)	2.56	ChemAxon
pKa (Strongest Basic)	3.47	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	79.2 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	73.43 m³·mol⁻¹	ChemAxon
Polarizability	26.77 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0249396

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

151765

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

173894

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for 2-Methoxy-11-oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylic acid (CFc000228930)

MOL for CFc000228930 (2-Methoxy-11-oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylic acid)

3D MOL for CFc000228930 (2-Methoxy-11-oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylic acid)

3D SDF for CFc000228930 (2-Methoxy-11-oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylic acid)

3D-SDF for CFc000228930 (2-Methoxy-11-oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylic acid)

PDB for CFc000228930 (2-Methoxy-11-oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylic acid)

3D PDB for CFc000228930 (2-Methoxy-11-oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylic acid)

SMILES for CFc000228930 (2-Methoxy-11-oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylic acid)

INCHI for CFc000228930 (2-Methoxy-11-oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylic acid)

Structure for CFc000228930 (2-Methoxy-11-oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylic acid)

3D Structure for CFc000228930 (2-Methoxy-11-oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylic acid)