2-(3-chlorophenyl)-1-phenylquinolin-4-one

C21H14ClNO — CID 102171684

IUPAC2-(3-chlorophenyl)-1-phenylquinolin-4-one
SMILESO=c1cc(-c2cccc(Cl)c2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C21H14ClNO/c22-16-8-6-7-15(13-16)20-14-21(24)18-11-4-5-12-19(18)23(20)17-9-2-1-3-10-17/h1-14H
InChIKeyBSSCEVIJOROUCZ-UHFFFAOYSA-N
MW331.80 g/mol
LogP5.31
Rot. Bonds2

About 2-(3-chlorophenyl)-1-phenylquinolin-4-one

2-(3-chlorophenyl)-1-phenylquinolin-4-one (PubChem CID 102171684) has the molecular formula C21H14ClNO and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-phenylquinolin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-phenylquinolin-4-one
PubChem CID102171684
Molecular FormulaC21H14ClNO
Molecular Weight331.80 g/mol
Exact Mass331.08
IUPAC Name2-(3-chlorophenyl)-1-phenylquinolin-4-one
SMILESO=c1cc(-c2cccc(Cl)c2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C21H14ClNO/c22-16-8-6-7-15(13-16)20-14-21(24)18-11-4-5-12-19(18)23(20)17-9-2-1-3-10-17/h1-14H
InChIKeyBSSCEVIJOROUCZ-UHFFFAOYSA-N
XLogP5.31
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.80
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-phenylquinolin-4-one
CID 102287989
4-(4-oxo-2-phenylquinolin-1-yl)benzonitrile
CID 102287988
4-[2-(3-chlorophenyl)phenyl]-9-phenylcarbazole
CID 176719063
1-(4-nitrophenyl)-2-phenylquinolin-4-one
CID 44632197
3-[4-[4-(3-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;3-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 167546281
1-(2-tert-butylphenyl)-2-(4-chlorophenyl)quinolin-4-one
CID 102439993
2-chloro-4,9-diphenylcarbazole
CID 165155449
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
3-(4-chlorophenyl)-9-phenylcarbazole
CID 59365524
2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
CID 152827310
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-phenylquinolin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-1-phenylquinolin-4-one (CID 102171684) is 2-(3-chlorophenyl)-1-phenylquinolin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-1-phenylquinolin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-1-phenylquinolin-4-one is O=c1cc(-c2cccc(Cl)c2)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of 2-(3-chlorophenyl)-1-phenylquinolin-4-one?
The InChIKey is BSSCEVIJOROUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO/c22-16-8-6-7-15(13-16)20-14-21(24)18-11-4-5-12-19(18)23(20)17-9-2-1-3-10-17/h1-14H.
What are the key properties of 2-(3-chlorophenyl)-1-phenylquinolin-4-one?
2-(3-chlorophenyl)-1-phenylquinolin-4-one has a molecular weight of 331.80 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-phenylquinolin-4-one is sourced from PubChem (CID 102171684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).