2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one

C20H13ClN2O2 — CID 23854030

IUPAC2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1-c1ccc(O)cc1
InChIInChI=1S/C20H13ClN2O2/c21-14-7-5-13(6-8-14)19-22-18-4-2-1-3-17(18)20(25)23(19)15-9-11-16(24)12-10-15/h1-12,24H
InChIKeySQLUWJOQHYBDCX-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.41
Rot. Bonds2

About 2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one

2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one (PubChem CID 23854030) has the molecular formula C20H13ClN2O2 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
PubChem CID23854030
Molecular FormulaC20H13ClN2O2
Molecular Weight348.79 g/mol
Exact Mass348.07
IUPAC Name2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1-c1ccc(O)cc1
InChIInChI=1S/C20H13ClN2O2/c21-14-7-5-13(6-8-14)19-22-18-4-2-1-3-17(18)20(25)23(19)15-9-11-16(24)12-10-15/h1-12,24H
InChIKeySQLUWJOQHYBDCX-UHFFFAOYSA-N
XLogP4.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 1047183
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
CID 717898
3-(4-nitrophenyl)-2-phenylquinazolin-4-one
CID 921318
4-[2-(4-chlorophenyl)-4H-imidazo[4,5-b]indol-3-yl]phenol
CID 45258430
2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
CID 121247434
3-(4-chlorophenyl)-2-phenoxyquinazolin-4-one
CID 86039228
2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 829457
3-(5-chloro-2-pyridinyl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]quinazolin-4-one
CID 10093442

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one (CID 23854030) is 2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one is O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1-c1ccc(O)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one?
The InChIKey is SQLUWJOQHYBDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O2/c21-14-7-5-13(6-8-14)19-22-18-4-2-1-3-17(18)20(25)23(19)15-9-11-16(24)12-10-15/h1-12,24H.
What are the key properties of 2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one?
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one has a molecular weight of 348.79 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one is sourced from PubChem (CID 23854030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).