6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one

C15H11ClN2O2 — CID 4538652

IUPAC6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one
SMILESCc1ccc(-c2nc3ccc(Cl)cc3c(=O)n2O)cc1
InChIInChI=1S/C15H11ClN2O2/c1-9-2-4-10(5-3-9)14-17-13-7-6-11(16)8-12(13)15(19)18(14)20/h2-8,20H,1H3
InChIKeyNMWUAZBKUCUGGK-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.26
Rot. Bonds1

About 6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one

6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one (PubChem CID 4538652) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one
PubChem CID4538652
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one
SMILESCc1ccc(-c2nc3ccc(Cl)cc3c(=O)n2O)cc1
InChIInChI=1S/C15H11ClN2O2/c1-9-2-4-10(5-3-9)14-17-13-7-6-11(16)8-12(13)15(19)18(14)20/h2-8,20H,1H3
InChIKeyNMWUAZBKUCUGGK-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.26
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-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one?
The IUPAC name of 6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one (CID 4538652) is 6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one?
The canonical SMILES for 6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one is Cc1ccc(-c2nc3ccc(Cl)cc3c(=O)n2O)cc1.
What is the InChIKey of 6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one?
The InChIKey is NMWUAZBKUCUGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-9-2-4-10(5-3-9)14-17-13-7-6-11(16)8-12(13)15(19)18(14)20/h2-8,20H,1H3.
What are the key properties of 6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one?
6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one has a molecular weight of 286.72 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 4538652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).