2-(4-oxo-3H-quinazolin-2-yl)benzoic acid

C15H10N2O3 — CID 135422851

IUPAC2-(4-oxo-3H-quinazolin-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H10N2O3/c18-14-11-7-3-4-8-12(11)16-13(17-14)9-5-1-2-6-10(9)15(19)20/h1-8H,(H,19,20)(H,16,17,18)
InChIKeyBXIXPQPMKDQMCW-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.29
Rot. Bonds2

About 2-(4-oxo-3H-quinazolin-2-yl)benzoic acid

2-(4-oxo-3H-quinazolin-2-yl)benzoic acid (PubChem CID 135422851) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-(4-oxo-3H-quinazolin-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(4-oxo-3H-quinazolin-2-yl)benzoic acid
PubChem CID135422851
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name2-(4-oxo-3H-quinazolin-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H10N2O3/c18-14-11-7-3-4-8-12(11)16-13(17-14)9-5-1-2-6-10(9)15(19)20/h1-8H,(H,19,20)(H,16,17,18)
InChIKeyBXIXPQPMKDQMCW-UHFFFAOYSA-N
XLogP2.29
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-oxo-3H-quinazolin-2-yl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3H-quinazolin-2-yl)benzoic acid?
The IUPAC name of 2-(4-oxo-3H-quinazolin-2-yl)benzoic acid (CID 135422851) is 2-(4-oxo-3H-quinazolin-2-yl)benzoic acid.
What is the SMILES notation for 2-(4-oxo-3H-quinazolin-2-yl)benzoic acid?
The canonical SMILES for 2-(4-oxo-3H-quinazolin-2-yl)benzoic acid is O=C(O)c1ccccc1-c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(4-oxo-3H-quinazolin-2-yl)benzoic acid?
The InChIKey is BXIXPQPMKDQMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-14-11-7-3-4-8-12(11)16-13(17-14)9-5-1-2-6-10(9)15(19)20/h1-8H,(H,19,20)(H,16,17,18).
What are the key properties of 2-(4-oxo-3H-quinazolin-2-yl)benzoic acid?
2-(4-oxo-3H-quinazolin-2-yl)benzoic acid has a molecular weight of 266.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3H-quinazolin-2-yl)benzoic acid is sourced from PubChem (CID 135422851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).