1-(4-chlorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one

C24H20ClNO4 — CID 134912702

IUPAC1-(4-chlorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one
SMILESCOc1ccc(-n2c(-c3ccc(Cl)cc3)c3cc(OC)c(OC)cc3cc2=O)cc1
InChIInChI=1S/C24H20ClNO4/c1-28-19-10-8-18(9-11-19)26-23(27)13-16-12-21(29-2)22(30-3)14-20(16)24(26)15-4-6-17(25)7-5-15/h4-14H,1-3H3
InChIKeyNJPBSMKZZIFJDU-UHFFFAOYSA-N
MW421.88 g/mol
LogP5.34
Rot. Bonds5

About 1-(4-chlorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one

1-(4-chlorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one (PubChem CID 134912702) has the molecular formula C24H20ClNO4 and a molecular weight of 421.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one
PubChem CID134912702
Molecular FormulaC24H20ClNO4
Molecular Weight421.88 g/mol
Exact Mass421.11
IUPAC Name1-(4-chlorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one
SMILESCOc1ccc(-n2c(-c3ccc(Cl)cc3)c3cc(OC)c(OC)cc3cc2=O)cc1
InChIInChI=1S/C24H20ClNO4/c1-28-19-10-8-18(9-11-19)26-23(27)13-16-12-21(29-2)22(30-3)14-20(16)24(26)15-4-6-17(25)7-5-15/h4-14H,1-3H3
InChIKeyNJPBSMKZZIFJDU-UHFFFAOYSA-N
XLogP5.34
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.88
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-6,7-dimethoxy-2-phenylisoquinolin-3-one
CID 134912871
6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one
CID 134913131
1-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-methylpyridin-2-one
CID 13416517
3-(4-chlorophenyl)-6,7-dimethoxy-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 134139321
9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene
CID 56602037
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
1-(4-chlorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 19353947
2-amino-1-(4-methoxyphenyl)-6,7-bis(phenylmethoxy)isoquinolin-3-one
CID 44552274
6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 118722445
5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazole-3,4-dione
CID 15351189
2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile
CID 11689362
dimethyl 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrrole-2,3-dicarboxylate
CID 139216437

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one?
The IUPAC name of 1-(4-chlorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one (CID 134912702) is 1-(4-chlorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one.
What is the SMILES notation for 1-(4-chlorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one?
The canonical SMILES for 1-(4-chlorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one is COc1ccc(-n2c(-c3ccc(Cl)cc3)c3cc(OC)c(OC)cc3cc2=O)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one?
The InChIKey is NJPBSMKZZIFJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO4/c1-28-19-10-8-18(9-11-19)26-23(27)13-16-12-21(29-2)22(30-3)14-20(16)24(26)15-4-6-17(25)7-5-15/h4-14H,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one?
1-(4-chlorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one has a molecular weight of 421.88 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one is sourced from PubChem (CID 134912702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).