2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one

C20H13ClN2O — CID 168551801

IUPAC2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(-c3ccccc3)cc2Cl)nc2ccccc12
InChIInChI=1S/C20H13ClN2O/c21-17-12-14(13-6-2-1-3-7-13)10-11-15(17)19-22-18-9-5-4-8-16(18)20(24)23-19/h1-12H,(H,22,23,24)
InChIKeyZUPOOYSUJRKAFJ-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.91
Rot. Bonds2

About 2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one

2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one (PubChem CID 168551801) has the molecular formula C20H13ClN2O and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one
PubChem CID168551801
Molecular FormulaC20H13ClN2O
Molecular Weight332.79 g/mol
Exact Mass332.07
IUPAC Name2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(-c3ccccc3)cc2Cl)nc2ccccc12
InChIInChI=1S/C20H13ClN2O/c21-17-12-14(13-6-2-1-3-7-13)10-11-15(17)19-22-18-9-5-4-8-16(18)20(24)23-19/h1-12H,(H,22,23,24)
InChIKeyZUPOOYSUJRKAFJ-UHFFFAOYSA-N
XLogP4.91
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-phenylphenyl)-1H-benzimidazole
CID 168554361
2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one
CID 168551464
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one
CID 168511648
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one
CID 168551424
2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)-3H-quinazolin-4-one
CID 168551501
2-(3-chloro-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551941
2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid
CID 168551369
2-[2-fluoro-5-(6-fluoro-3-pyridinyl)phenyl]-3H-quinazolin-4-one
CID 168553364
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one (CID 168551801) is 2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc(-c3ccccc3)cc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one?
The InChIKey is ZUPOOYSUJRKAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O/c21-17-12-14(13-6-2-1-3-7-13)10-11-15(17)19-22-18-9-5-4-8-16(18)20(24)23-19/h1-12H,(H,22,23,24).
What are the key properties of 2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one?
2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one has a molecular weight of 332.79 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168551801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).