3-(4-chlorophenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one

C25H17ClN2O — CID 164511180

IUPAC3-(4-chlorophenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one
SMILESCc1ccc2cccnc2c1-n1c(-c2ccc(Cl)cc2)cc2ccccc2c1=O
InChIInChI=1S/C25H17ClN2O/c1-16-8-9-18-6-4-14-27-23(18)24(16)28-22(17-10-12-20(26)13-11-17)15-19-5-2-3-7-21(19)25(28)29/h2-15H,1H3
InChIKeyJWYODDTZXFCHOK-UHFFFAOYSA-N
MW396.88 g/mol
LogP6.17
Rot. Bonds2

About 3-(4-chlorophenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one

3-(4-chlorophenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one (PubChem CID 164511180) has the molecular formula C25H17ClN2O and a molecular weight of 396.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one
PubChem CID164511180
Molecular FormulaC25H17ClN2O
Molecular Weight396.88 g/mol
Exact Mass396.10
IUPAC Name3-(4-chlorophenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one
SMILESCc1ccc2cccnc2c1-n1c(-c2ccc(Cl)cc2)cc2ccccc2c1=O
InChIInChI=1S/C25H17ClN2O/c1-16-8-9-18-6-4-14-27-23(18)24(16)28-22(17-10-12-20(26)13-11-17)15-19-5-2-3-7-21(19)25(28)29/h2-15H,1H3
InChIKeyJWYODDTZXFCHOK-UHFFFAOYSA-N
XLogP6.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butylphenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one
CID 164511182
7-methyl-2-(7-methylquinolin-8-yl)-3,4-diphenylisoquinolin-1-one
CID 164511196
3-amino-2-(2,6-dichloro-3-methylphenyl)isoquinolin-1-one
CID 43162653
4-amino-5-(7-methylquinolin-8-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329380
2-phenyl-3-pyridin-4-ylisoquinolin-1-one
CID 15193134
methyl N-[3-(4-chlorophenyl)-1-oxoisoquinolin-2-yl]carbamate
CID 134913400
8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118487708
3-amino-2-(3-chloro-4-methylphenyl)isoquinolin-1-one
CID 43341031
5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole
CID 118487867
5-(4-chlorophenyl)-2-methylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde
CID 102203143
1-methyl-5-quinolin-8-ylphenanthridin-6-one
CID 164682820
3-amino-2-(2,4-dichlorophenyl)isoquinolin-1-one
CID 43341028

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one?
The IUPAC name of 3-(4-chlorophenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one (CID 164511180) is 3-(4-chlorophenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one is Cc1ccc2cccnc2c1-n1c(-c2ccc(Cl)cc2)cc2ccccc2c1=O.
What is the InChIKey of 3-(4-chlorophenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one?
The InChIKey is JWYODDTZXFCHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN2O/c1-16-8-9-18-6-4-14-27-23(18)24(16)28-22(17-10-12-20(26)13-11-17)15-19-5-2-3-7-21(19)25(28)29/h2-15H,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one?
3-(4-chlorophenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one has a molecular weight of 396.88 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one is sourced from PubChem (CID 164511180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).