6-chloro-2-(hydroxymethyl)-6H-quinazolin-4-one

C9H7ClN2O2 — CID 73326010

IUPAC6-chloro-2-(hydroxymethyl)-6H-quinazolin-4-one
SMILESO=C1N=C(CO)N=C2C=CC(Cl)C=C12
InChIInChI=1S/C9H7ClN2O2/c10-5-1-2-7-6(3-5)9(14)12-8(4-13)11-7/h1-3,5,13H,4H2
InChIKeyAOWMMSTWLPEXSU-UHFFFAOYSA-N
MW210.62 g/mol
LogP0.46
Rot. Bonds1

About 6-chloro-2-(hydroxymethyl)-6H-quinazolin-4-one

6-chloro-2-(hydroxymethyl)-6H-quinazolin-4-one (PubChem CID 73326010) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 6-chloro-2-(hydroxymethyl)-6H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-(hydroxymethyl)-6H-quinazolin-4-one
PubChem CID73326010
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name6-chloro-2-(hydroxymethyl)-6H-quinazolin-4-one
SMILESO=C1N=C(CO)N=C2C=CC(Cl)C=C12
InChIInChI=1S/C9H7ClN2O2/c10-5-1-2-7-6(3-5)9(14)12-8(4-13)11-7/h1-3,5,13H,4H2
InChIKeyAOWMMSTWLPEXSU-UHFFFAOYSA-N
XLogP0.46
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-chloro-2-(hydroxymethyl)-6H-quinazolin-4-one 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 6-chloro-2-(hydroxymethyl)-6H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-(hydroxymethyl)-6H-quinazolin-4-one (CID 73326010) is 6-chloro-2-(hydroxymethyl)-6H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-(hydroxymethyl)-6H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-(hydroxymethyl)-6H-quinazolin-4-one is O=C1N=C(CO)N=C2C=CC(Cl)C=C12.
What is the InChIKey of 6-chloro-2-(hydroxymethyl)-6H-quinazolin-4-one?
The InChIKey is AOWMMSTWLPEXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-5-1-2-7-6(3-5)9(14)12-8(4-13)11-7/h1-3,5,13H,4H2.
What are the key properties of 6-chloro-2-(hydroxymethyl)-6H-quinazolin-4-one?
6-chloro-2-(hydroxymethyl)-6H-quinazolin-4-one has a molecular weight of 210.62 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(hydroxymethyl)-6H-quinazolin-4-one is sourced from PubChem (CID 73326010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).