2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid

C10H7ClN2O3 — CID 117264131

IUPAC2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid
SMILESCc1ccc2nc(Cl)n(C(=O)O)c(=O)c2c1
InChIInChI=1S/C10H7ClN2O3/c1-5-2-3-7-6(4-5)8(14)13(10(15)16)9(11)12-7/h2-4H,1H3,(H,15,16)
InChIKeyOTAPYDNLPZPMEE-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.88
Rot. Bonds

About 2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid

2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid (PubChem CID 117264131) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid
PubChem CID117264131
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid
SMILESCc1ccc2nc(Cl)n(C(=O)O)c(=O)c2c1
InChIInChI=1S/C10H7ClN2O3/c1-5-2-3-7-6(4-5)8(14)13(10(15)16)9(11)12-7/h2-4H,1H3,(H,15,16)
InChIKeyOTAPYDNLPZPMEE-UHFFFAOYSA-N
XLogP1.88
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-6-methyl-4-oxoquinazoline-3-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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid?
The IUPAC name of 2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid (CID 117264131) is 2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid.
What is the SMILES notation for 2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid?
The canonical SMILES for 2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid is Cc1ccc2nc(Cl)n(C(=O)O)c(=O)c2c1.
What is the InChIKey of 2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid?
The InChIKey is OTAPYDNLPZPMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c1-5-2-3-7-6(4-5)8(14)13(10(15)16)9(11)12-7/h2-4H,1H3,(H,15,16).
What are the key properties of 2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid?
2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid has a molecular weight of 238.63 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid is sourced from PubChem (CID 117264131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).