2-(2-chlorophenyl)-3-hydroxyquinazolin-4-one

C14H9ClN2O2 — CID 1487339

IUPAC2-(2-chlorophenyl)-3-hydroxyquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2Cl)n1O
InChIInChI=1S/C14H9ClN2O2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17(13)19/h1-8,19H
InChIKeyDGQIVAAUAZNPHM-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.95
Rot. Bonds1

About 2-(2-chlorophenyl)-3-hydroxyquinazolin-4-one

2-(2-chlorophenyl)-3-hydroxyquinazolin-4-one (PubChem CID 1487339) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-hydroxyquinazolin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-hydroxyquinazolin-4-one
PubChem CID1487339
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name2-(2-chlorophenyl)-3-hydroxyquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2Cl)n1O
InChIInChI=1S/C14H9ClN2O2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17(13)19/h1-8,19H
InChIKeyDGQIVAAUAZNPHM-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-hydroxyquinazolin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-3-hydroxyquinazolin-4-one (CID 1487339) is 2-(2-chlorophenyl)-3-hydroxyquinazolin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-3-hydroxyquinazolin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-3-hydroxyquinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2Cl)n1O.
What is the InChIKey of 2-(2-chlorophenyl)-3-hydroxyquinazolin-4-one?
The InChIKey is DGQIVAAUAZNPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17(13)19/h1-8,19H.
What are the key properties of 2-(2-chlorophenyl)-3-hydroxyquinazolin-4-one?
2-(2-chlorophenyl)-3-hydroxyquinazolin-4-one has a molecular weight of 272.69 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-hydroxyquinazolin-4-one is sourced from PubChem (CID 1487339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).