4-(4-chlorophenyl)-2-phenylisoquinolin-1-one

C21H14ClNO — CID 13045360

IUPAC4-(4-chlorophenyl)-2-phenylisoquinolin-1-one
SMILESO=c1c2ccccc2c(-c2ccc(Cl)cc2)cn1-c1ccccc1
InChIInChI=1S/C21H14ClNO/c22-16-12-10-15(11-13-16)20-14-23(17-6-2-1-3-7-17)21(24)19-9-5-4-8-18(19)20/h1-14H
InChIKeyZWOHVYLAUCRVLR-UHFFFAOYSA-N
MW331.80 g/mol
LogP5.31
Rot. Bonds2

About 4-(4-chlorophenyl)-2-phenylisoquinolin-1-one

4-(4-chlorophenyl)-2-phenylisoquinolin-1-one (PubChem CID 13045360) has the molecular formula C21H14ClNO and a molecular weight of 331.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-phenylisoquinolin-1-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-phenylisoquinolin-1-one
PubChem CID13045360
Molecular FormulaC21H14ClNO
Molecular Weight331.80 g/mol
Exact Mass331.08
IUPAC Name4-(4-chlorophenyl)-2-phenylisoquinolin-1-one
SMILESO=c1c2ccccc2c(-c2ccc(Cl)cc2)cn1-c1ccccc1
InChIInChI=1S/C21H14ClNO/c22-16-12-10-15(11-13-16)20-14-23(17-6-2-1-3-7-17)21(24)19-9-5-4-8-18(19)20/h1-14H
InChIKeyZWOHVYLAUCRVLR-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

2,4-bis(4-hydroxyphenyl)isoquinolin-1-one
CID 144586791
2-(4-hydroxyphenyl)-4-(4-methoxyphenyl)isoquinolin-1-one
CID 144586778
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methoxyphenyl)isoquinolin-1-one
CID 53082056
6-chloro-2-methyl-4-phenylisoquinolin-1-one
CID 139653195
2-(4-chlorophenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]isoquinolin-1-one
CID 51364376
(4-chloro-2-methoxyphenyl) 1-oxo-2-phenylisoquinoline-4-carboxylate
CID 53092777
4-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one
CID 53082027
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)isoquinolin-1-one
CID 51364299
2-(4-chlorophenyl)-5-hydroxy-4-methylisoquinolin-1-one
CID 118407458
2-(4-chlorophenyl)-N-(2,6-difluorophenyl)-1-oxoisoquinoline-4-carboxamide
CID 4139889
1-(4-chlorophenyl)pyridin-2-one
CID 68957992
2-(4-chlorophenyl)-4-(4-methylpiperidine-1-carbonyl)isoquinolin-1-one
CID 4142158

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-phenylisoquinolin-1-one?
The IUPAC name of 4-(4-chlorophenyl)-2-phenylisoquinolin-1-one (CID 13045360) is 4-(4-chlorophenyl)-2-phenylisoquinolin-1-one.
What is the SMILES notation for 4-(4-chlorophenyl)-2-phenylisoquinolin-1-one?
The canonical SMILES for 4-(4-chlorophenyl)-2-phenylisoquinolin-1-one is O=c1c2ccccc2c(-c2ccc(Cl)cc2)cn1-c1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-phenylisoquinolin-1-one?
The InChIKey is ZWOHVYLAUCRVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO/c22-16-12-10-15(11-13-16)20-14-23(17-6-2-1-3-7-17)21(24)19-9-5-4-8-18(19)20/h1-14H.
What are the key properties of 4-(4-chlorophenyl)-2-phenylisoquinolin-1-one?
4-(4-chlorophenyl)-2-phenylisoquinolin-1-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 4-(4-chlorophenyl)-2-phenylisoquinolin-1-one is sourced from PubChem (CID 13045360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).