6-methyl-3-[4-(4-methylphenyl)quinolin-2-yl]-4-phenyl-1H-quinolin-2-one

C32H24N2O — CID 56689455

IUPAC6-methyl-3-[4-(4-methylphenyl)quinolin-2-yl]-4-phenyl-1H-quinolin-2-one
SMILESCc1ccc(-c2cc(-c3c(-c4ccccc4)c4cc(C)ccc4[nH]c3=O)nc3ccccc23)cc1
InChIInChI=1S/C32H24N2O/c1-20-12-15-22(16-13-20)25-19-29(33-27-11-7-6-10-24(25)27)31-30(23-8-4-3-5-9-23)26-18-21(2)14-17-28(26)34-32(31)35/h3-19H,1-2H3,(H,34,35)
InChIKeyBLEFRYGOPNWLJS-UHFFFAOYSA-N
MW452.56 g/mol
LogP7.69
Rot. Bonds3

About 6-methyl-3-[4-(4-methylphenyl)quinolin-2-yl]-4-phenyl-1H-quinolin-2-one

6-methyl-3-[4-(4-methylphenyl)quinolin-2-yl]-4-phenyl-1H-quinolin-2-one (PubChem CID 56689455) has the molecular formula C32H24N2O and a molecular weight of 452.56 g/mol. Its IUPAC name is 6-methyl-3-[4-(4-methylphenyl)quinolin-2-yl]-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-3-[4-(4-methylphenyl)quinolin-2-yl]-4-phenyl-1H-quinolin-2-one
PubChem CID56689455
Molecular FormulaC32H24N2O
Molecular Weight452.56 g/mol
Exact Mass452.19
IUPAC Name6-methyl-3-[4-(4-methylphenyl)quinolin-2-yl]-4-phenyl-1H-quinolin-2-one
SMILESCc1ccc(-c2cc(-c3c(-c4ccccc4)c4cc(C)ccc4[nH]c3=O)nc3ccccc23)cc1
InChIInChI=1S/C32H24N2O/c1-20-12-15-22(16-13-20)25-19-29(33-27-11-7-6-10-24(25)27)31-30(23-8-4-3-5-9-23)26-18-21(2)14-17-28(26)34-32(31)35/h3-19H,1-2H3,(H,34,35)
InChIKeyBLEFRYGOPNWLJS-UHFFFAOYSA-N
XLogP7.69
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-4-phenyl-3-pyridin-2-yl-1H-quinolin-2-one
CID 142993468
2-(2,4-dimethylphenyl)-4-phenylquinoline
CID 8966123
2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline
CID 86102330
7-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 154716816
7-methyl-2,4-diphenylquinoline
CID 13048584
8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione
CID 57212353
6-methyl-2-naphthalen-1-yl-4-phenylquinoline
CID 154716813
2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline
CID 15099821
methyl 1-(6-methyl-4-phenylquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 102528423
4-(4-methoxyphenyl)-6-methyl-1H-quinolin-2-one
CID 139231028
ethane;4-(4-fluorophenyl)-6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
CID 142993502
6-methyl-4-phenyl-3-[(E)-3-quinoxalin-6-ylprop-2-enoyl]-1H-quinolin-2-one
CID 47087850

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[4-(4-methylphenyl)quinolin-2-yl]-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-methyl-3-[4-(4-methylphenyl)quinolin-2-yl]-4-phenyl-1H-quinolin-2-one (CID 56689455) is 6-methyl-3-[4-(4-methylphenyl)quinolin-2-yl]-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-3-[4-(4-methylphenyl)quinolin-2-yl]-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-3-[4-(4-methylphenyl)quinolin-2-yl]-4-phenyl-1H-quinolin-2-one is Cc1ccc(-c2cc(-c3c(-c4ccccc4)c4cc(C)ccc4[nH]c3=O)nc3ccccc23)cc1.
What is the InChIKey of 6-methyl-3-[4-(4-methylphenyl)quinolin-2-yl]-4-phenyl-1H-quinolin-2-one?
The InChIKey is BLEFRYGOPNWLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O/c1-20-12-15-22(16-13-20)25-19-29(33-27-11-7-6-10-24(25)27)31-30(23-8-4-3-5-9-23)26-18-21(2)14-17-28(26)34-32(31)35/h3-19H,1-2H3,(H,34,35).
What are the key properties of 6-methyl-3-[4-(4-methylphenyl)quinolin-2-yl]-4-phenyl-1H-quinolin-2-one?
6-methyl-3-[4-(4-methylphenyl)quinolin-2-yl]-4-phenyl-1H-quinolin-2-one has a molecular weight of 452.56 g/mol, XLogP of 7.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[4-(4-methylphenyl)quinolin-2-yl]-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 56689455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).