8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one

C23H18ClNO — CID 71291771

IUPAC8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one
SMILESCCc1cc2cccc(-c3cccc(Cl)c3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C23H18ClNO/c1-2-19-15-17-9-7-13-21(16-8-6-10-18(24)14-16)22(17)23(26)25(19)20-11-4-3-5-12-20/h3-15H,2H2,1H3
InChIKeyNZIHRGAGYPRYLN-UHFFFAOYSA-N
MW359.86 g/mol
LogP5.87
Rot. Bonds3

About 8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one

8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one (PubChem CID 71291771) has the molecular formula C23H18ClNO and a molecular weight of 359.86 g/mol. Its IUPAC name is 8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one.

Molecular Properties

Compound Name8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one
PubChem CID71291771
Molecular FormulaC23H18ClNO
Molecular Weight359.86 g/mol
Exact Mass359.11
IUPAC Name8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one
SMILESCCc1cc2cccc(-c3cccc(Cl)c3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C23H18ClNO/c1-2-19-15-17-9-7-13-21(16-8-6-10-18(24)14-16)22(17)23(26)25(19)20-11-4-3-5-12-20/h3-15H,2H2,1H3
InChIKeyNZIHRGAGYPRYLN-UHFFFAOYSA-N
XLogP5.87
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[3-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one
CID 144514912
3-ethyl-1-oxo-2-phenyl-8-[3-(sulfinatoamino)phenyl]isoquinoline
CID 123331490
2-chloro-5-methylpyrimidin-4-amine;ethane;3-ethyl-8-(2-methoxypyrimidin-5-yl)-2-phenylisoquinolin-1-one
CID 144543773
3-ethyl-8-[1-(oxan-4-yl)-6-oxo-3-pyridinyl]-2-phenylisoquinolin-1-one
CID 144543781
8-but-1-ynyl-3-ethyl-2-phenylisoquinolin-1-one
CID 144824176
3-ethyl-N-methyl-1-oxo-2-phenylisoquinoline-8-carboxamide
CID 144514885
8-(3,3-dimethylbut-1-ynyl)-3-ethyl-2-phenylisoquinolin-1-one
CID 144824598
3-ethyl-8-(5-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one;pyrido[3,2-d]pyrimidine-2,4-diamine
CID 144514840
ethane;3-ethyl-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one;5-pyridin-3-ylpyrimidine-2,4-diamine
CID 144543796
2,4-diaminopyrimidine-5-carbonitrile;3-ethyl-8-(2-methoxypyrimidin-5-yl)-2-phenylisoquinolin-1-one
CID 144543990
2,4-diaminopyrimidine-5-carboxylic acid;3-ethyl-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one
CID 144543729
8-[4-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one;[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 144514925

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one?
The IUPAC name of 8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one (CID 71291771) is 8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one.
What is the SMILES notation for 8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one?
The canonical SMILES for 8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one is CCc1cc2cccc(-c3cccc(Cl)c3)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one?
The InChIKey is NZIHRGAGYPRYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO/c1-2-19-15-17-9-7-13-21(16-8-6-10-18(24)14-16)22(17)23(26)25(19)20-11-4-3-5-12-20/h3-15H,2H2,1H3.
What are the key properties of 8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one?
8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one has a molecular weight of 359.86 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one is sourced from PubChem (CID 71291771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).