quinazoline-2-carboxylic acid

C9H6N2O2 — CID 19006950

IUPACquinazoline-2-carboxylic acid
SMILESO=C(O)c1ncc2ccccc2n1
InChIInChI=1S/C9H6N2O2/c12-9(13)8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)
InChIKeyOKXPYKHKJCATPX-UHFFFAOYSA-N
MW174.16 g/mol
LogP1.33
Rot. Bonds1

About quinazoline-2-carboxylic acid

quinazoline-2-carboxylic acid (PubChem CID 19006950) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is quinazoline-2-carboxylic acid.

Molecular Properties

Compound Namequinazoline-2-carboxylic acid
PubChem CID19006950
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Namequinazoline-2-carboxylic acid
SMILESO=C(O)c1ncc2ccccc2n1
InChIInChI=1S/C9H6N2O2/c12-9(13)8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)
InChIKeyOKXPYKHKJCATPX-UHFFFAOYSA-N
XLogP1.33
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze quinazoline-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

Quinazoline
CID 9210
Quinazolin-2-amine
CID 519332
5-Phenylpyrimidine-2-carboxylic acid
CID 608255
1-(4-Quinazolinyl)proline
CID 2792419
(Quinazolin-4-ylamino)acetic acid
CID 718838
2-Chloroquinazoline
CID 74054
4-(3-Fluorophenyl)pyrimidine-2-carboxylic acid
CID 82661260
4-(3-Chloro-4-fluorophenyl)pyrimidine-2-carboxylic acid
CID 116899761
4-(3,4-Difluorophenyl)pyrimidine-2-carboxylic acid
CID 117523700
4-(4-Chloro-3-fluorophenyl)pyrimidine-2-carboxylic acid
CID 134136793
4-(3-Fluoro-4-methylphenyl)pyrimidine-2-carboxylic acid
CID 134137782
4-(3-Chloro-2-fluorophenyl)pyrimidine-2-carboxylic acid
CID 134138586

Frequently Asked Questions

What is the IUPAC name of quinazoline-2-carboxylic acid?
The IUPAC name of quinazoline-2-carboxylic acid (CID 19006950) is quinazoline-2-carboxylic acid.
What is the SMILES notation for quinazoline-2-carboxylic acid?
The canonical SMILES for quinazoline-2-carboxylic acid is O=C(O)c1ncc2ccccc2n1.
What is the InChIKey of quinazoline-2-carboxylic acid?
The InChIKey is OKXPYKHKJCATPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c12-9(13)8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13).
What are the key properties of quinazoline-2-carboxylic acid?
quinazoline-2-carboxylic acid has a molecular weight of 174.16 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinazoline-2-carboxylic acid is sourced from PubChem (CID 19006950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).