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

C14H8BrClN2O2 — CID 1471100

IUPAC6-bromo-2-(3-chlorophenyl)-3-hydroxyquinazolin-4-one
SMILESO=c1c2cc(Br)ccc2nc(-c2cccc(Cl)c2)n1O
InChIInChI=1S/C14H8BrClN2O2/c15-9-4-5-12-11(7-9)14(19)18(20)13(17-12)8-2-1-3-10(16)6-8/h1-7,20H
InChIKeyGYUZLZSUQLLJAL-UHFFFAOYSA-N
MW351.59 g/mol
LogP3.72
Rot. Bonds1

About 6-bromo-2-(3-chlorophenyl)-3-hydroxyquinazolin-4-one

6-bromo-2-(3-chlorophenyl)-3-hydroxyquinazolin-4-one (PubChem CID 1471100) has the molecular formula C14H8BrClN2O2 and a molecular weight of 351.59 g/mol. Its IUPAC name is 6-bromo-2-(3-chlorophenyl)-3-hydroxyquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-2-(3-chlorophenyl)-3-hydroxyquinazolin-4-one
PubChem CID1471100
Molecular FormulaC14H8BrClN2O2
Molecular Weight351.59 g/mol
Exact Mass349.95
IUPAC Name6-bromo-2-(3-chlorophenyl)-3-hydroxyquinazolin-4-one
SMILESO=c1c2cc(Br)ccc2nc(-c2cccc(Cl)c2)n1O
InChIInChI=1S/C14H8BrClN2O2/c15-9-4-5-12-11(7-9)14(19)18(20)13(17-12)8-2-1-3-10(16)6-8/h1-7,20H
InChIKeyGYUZLZSUQLLJAL-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.59
LogP ≤ 53.72
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 6-bromo-2-(3-chlorophenyl)-3-hydroxyquinazolin-4-one?
The IUPAC name of 6-bromo-2-(3-chlorophenyl)-3-hydroxyquinazolin-4-one (CID 1471100) is 6-bromo-2-(3-chlorophenyl)-3-hydroxyquinazolin-4-one.
What is the SMILES notation for 6-bromo-2-(3-chlorophenyl)-3-hydroxyquinazolin-4-one?
The canonical SMILES for 6-bromo-2-(3-chlorophenyl)-3-hydroxyquinazolin-4-one is O=c1c2cc(Br)ccc2nc(-c2cccc(Cl)c2)n1O.
What is the InChIKey of 6-bromo-2-(3-chlorophenyl)-3-hydroxyquinazolin-4-one?
The InChIKey is GYUZLZSUQLLJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O2/c15-9-4-5-12-11(7-9)14(19)18(20)13(17-12)8-2-1-3-10(16)6-8/h1-7,20H.
What are the key properties of 6-bromo-2-(3-chlorophenyl)-3-hydroxyquinazolin-4-one?
6-bromo-2-(3-chlorophenyl)-3-hydroxyquinazolin-4-one has a molecular weight of 351.59 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-chlorophenyl)-3-hydroxyquinazolin-4-one is sourced from PubChem (CID 1471100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).