7-methyl-2-(7-methylquinolin-8-yl)-3,4-diphenylisoquinolin-1-one

C32H24N2O — CID 164511196

IUPAC7-methyl-2-(7-methylquinolin-8-yl)-3,4-diphenylisoquinolin-1-one
SMILESCc1ccc2c(-c3ccccc3)c(-c3ccccc3)n(-c3c(C)ccc4cccnc34)c(=O)c2c1
InChIInChI=1S/C32H24N2O/c1-21-15-18-26-27(20-21)32(35)34(30-22(2)16-17-24-14-9-19-33-29(24)30)31(25-12-7-4-8-13-25)28(26)23-10-5-3-6-11-23/h3-20H,1-2H3
InChIKeySZXYLEKSORCOKQ-UHFFFAOYSA-N
MW452.56 g/mol
LogP7.49
Rot. Bonds3

About 7-methyl-2-(7-methylquinolin-8-yl)-3,4-diphenylisoquinolin-1-one

7-methyl-2-(7-methylquinolin-8-yl)-3,4-diphenylisoquinolin-1-one (PubChem CID 164511196) has the molecular formula C32H24N2O and a molecular weight of 452.56 g/mol. Its IUPAC name is 7-methyl-2-(7-methylquinolin-8-yl)-3,4-diphenylisoquinolin-1-one.

Molecular Properties

Compound Name7-methyl-2-(7-methylquinolin-8-yl)-3,4-diphenylisoquinolin-1-one
PubChem CID164511196
Molecular FormulaC32H24N2O
Molecular Weight452.56 g/mol
Exact Mass452.19
IUPAC Name7-methyl-2-(7-methylquinolin-8-yl)-3,4-diphenylisoquinolin-1-one
SMILESCc1ccc2c(-c3ccccc3)c(-c3ccccc3)n(-c3c(C)ccc4cccnc34)c(=O)c2c1
InChIInChI=1S/C32H24N2O/c1-21-15-18-26-27(20-21)32(35)34(30-22(2)16-17-24-14-9-19-33-29(24)30)31(25-12-7-4-8-13-25)28(26)23-10-5-3-6-11-23/h3-20H,1-2H3
InChIKeySZXYLEKSORCOKQ-UHFFFAOYSA-N
XLogP7.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-(bromomethyl)quinolin-8-yl]-3,4-diphenylisoquinolin-1-one
CID 164511226
3-(4-chlorophenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one
CID 164511180
3-(4-tert-butylphenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one
CID 164511182
2-(7-methyl-1-oxidoquinolin-1-ium-8-yl)-3,4-diphenylisoquinolin-1-one
CID 164511227
2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576404
4-amino-5-(7-methylquinolin-8-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329380
4-methyl-2-phenyl-1,10-phenanthroline
CID 161241455
5-methyl-2-quinolin-8-yl-1,2-benzoselenazol-3-one
CID 122204061
4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline
CID 145180186
2-phenyl-3-(2,4,6-trimethylphenyl)-1,10-phenanthroline
CID 175385817
8-methyl-5-(4-phenylphenyl)pyrido[3,2-b]indole
CID 144976361
7-(10-benzo[b][1,10]phenanthrolin-7-ylanthracen-9-yl)benzo[b][1,10]phenanthroline
CID 134559539

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(7-methylquinolin-8-yl)-3,4-diphenylisoquinolin-1-one?
The IUPAC name of 7-methyl-2-(7-methylquinolin-8-yl)-3,4-diphenylisoquinolin-1-one (CID 164511196) is 7-methyl-2-(7-methylquinolin-8-yl)-3,4-diphenylisoquinolin-1-one.
What is the SMILES notation for 7-methyl-2-(7-methylquinolin-8-yl)-3,4-diphenylisoquinolin-1-one?
The canonical SMILES for 7-methyl-2-(7-methylquinolin-8-yl)-3,4-diphenylisoquinolin-1-one is Cc1ccc2c(-c3ccccc3)c(-c3ccccc3)n(-c3c(C)ccc4cccnc34)c(=O)c2c1.
What is the InChIKey of 7-methyl-2-(7-methylquinolin-8-yl)-3,4-diphenylisoquinolin-1-one?
The InChIKey is SZXYLEKSORCOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O/c1-21-15-18-26-27(20-21)32(35)34(30-22(2)16-17-24-14-9-19-33-29(24)30)31(25-12-7-4-8-13-25)28(26)23-10-5-3-6-11-23/h3-20H,1-2H3.
What are the key properties of 7-methyl-2-(7-methylquinolin-8-yl)-3,4-diphenylisoquinolin-1-one?
7-methyl-2-(7-methylquinolin-8-yl)-3,4-diphenylisoquinolin-1-one has a molecular weight of 452.56 g/mol, XLogP of 7.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(7-methylquinolin-8-yl)-3,4-diphenylisoquinolin-1-one is sourced from PubChem (CID 164511196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).