7-hydroxy-3-methyl-4-oxoquinazoline-2-carboxylic acid

C10H8N2O4 — CID 84787286

IUPAC7-hydroxy-3-methyl-4-oxoquinazoline-2-carboxylic acid
SMILESCn1c(C(=O)O)nc2cc(O)ccc2c1=O
InChIInChI=1S/C10H8N2O4/c1-12-8(10(15)16)11-7-4-5(13)2-3-6(7)9(12)14/h2-4,13H,1H3,(H,15,16)
InChIKeyGASNZUOVUFARDQ-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.34
Rot. Bonds1

About 7-hydroxy-3-methyl-4-oxoquinazoline-2-carboxylic acid

7-hydroxy-3-methyl-4-oxoquinazoline-2-carboxylic acid (PubChem CID 84787286) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 7-hydroxy-3-methyl-4-oxoquinazoline-2-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-3-methyl-4-oxoquinazoline-2-carboxylic acid
PubChem CID84787286
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name7-hydroxy-3-methyl-4-oxoquinazoline-2-carboxylic acid
SMILESCn1c(C(=O)O)nc2cc(O)ccc2c1=O
InChIInChI=1S/C10H8N2O4/c1-12-8(10(15)16)11-7-4-5(13)2-3-6(7)9(12)14/h2-4,13H,1H3,(H,15,16)
InChIKeyGASNZUOVUFARDQ-UHFFFAOYSA-N
XLogP0.34
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-hydroxy-3-methyl-4-oxoquinazoline-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

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-methyl-4-oxoquinazoline-2-carboxylic acid?
The IUPAC name of 7-hydroxy-3-methyl-4-oxoquinazoline-2-carboxylic acid (CID 84787286) is 7-hydroxy-3-methyl-4-oxoquinazoline-2-carboxylic acid.
What is the SMILES notation for 7-hydroxy-3-methyl-4-oxoquinazoline-2-carboxylic acid?
The canonical SMILES for 7-hydroxy-3-methyl-4-oxoquinazoline-2-carboxylic acid is Cn1c(C(=O)O)nc2cc(O)ccc2c1=O.
What is the InChIKey of 7-hydroxy-3-methyl-4-oxoquinazoline-2-carboxylic acid?
The InChIKey is GASNZUOVUFARDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-12-8(10(15)16)11-7-4-5(13)2-3-6(7)9(12)14/h2-4,13H,1H3,(H,15,16).
What are the key properties of 7-hydroxy-3-methyl-4-oxoquinazoline-2-carboxylic acid?
7-hydroxy-3-methyl-4-oxoquinazoline-2-carboxylic acid has a molecular weight of 220.18 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-methyl-4-oxoquinazoline-2-carboxylic acid is sourced from PubChem (CID 84787286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).