4-(1H-indol-3-yl)-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one

C24H22N2O — CID 69457742

IUPAC4-(1H-indol-3-yl)-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESCC1=CC(c2c[nH]c3ccccc23)C2=C(CC(c3ccccc3)CC2=O)N1
InChIInChI=1S/C24H22N2O/c1-15-11-19(20-14-25-21-10-6-5-9-18(20)21)24-22(26-15)12-17(13-23(24)27)16-7-3-2-4-8-16/h2-11,14,17,19,25-26H,12-13H2,1H3
InChIKeyYYYSVCZXFDGCEZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.16
Rot. Bonds2

About 4-(1H-indol-3-yl)-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one

4-(1H-indol-3-yl)-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one (PubChem CID 69457742) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
PubChem CID69457742
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name4-(1H-indol-3-yl)-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESCC1=CC(c2c[nH]c3ccccc23)C2=C(CC(c3ccccc3)CC2=O)N1
InChIInChI=1S/C24H22N2O/c1-15-11-19(20-14-25-21-10-6-5-9-18(20)21)24-22(26-15)12-17(13-23(24)27)16-7-3-2-4-8-16/h2-11,14,17,19,25-26H,12-13H2,1H3
InChIKeyYYYSVCZXFDGCEZ-UHFFFAOYSA-N
XLogP5.16
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(1H-indol-3-yl)-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6R,9S)-6-(1H-indol-3-yl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 40513190
9-(4-chlorophenyl)-6-(1H-indol-3-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 3131443
(4R,7S)-4,7-diphenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 872442
2,7,7-trimethyl-4-phenyl-1,4,6,8-tetrahydroquinolin-5-one
CID 25194423
9-(2-chlorophenyl)-6-(1H-indol-3-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 17062351
(4R,7S)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 700176
(4R,7R)-4-(2-chlorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 1042300
(6S,9S)-6-naphthalen-1-yl-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 7093234
9-(4-methylphenyl)-6-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 627587
6-(3-methylphenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 2884205
(6R,9S)-6-ethyl-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 7342621
(6S,9R)-6-ethyl-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 7342624

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The IUPAC name of 4-(1H-indol-3-yl)-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one (CID 69457742) is 4-(1H-indol-3-yl)-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one.
What is the SMILES notation for 4-(1H-indol-3-yl)-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The canonical SMILES for 4-(1H-indol-3-yl)-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one is CC1=CC(c2c[nH]c3ccccc23)C2=C(CC(c3ccccc3)CC2=O)N1.
What is the InChIKey of 4-(1H-indol-3-yl)-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The InChIKey is YYYSVCZXFDGCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-15-11-19(20-14-25-21-10-6-5-9-18(20)21)24-22(26-15)12-17(13-23(24)27)16-7-3-2-4-8-16/h2-11,14,17,19,25-26H,12-13H2,1H3.
What are the key properties of 4-(1H-indol-3-yl)-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one?
4-(1H-indol-3-yl)-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one has a molecular weight of 354.45 g/mol, XLogP of 5.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one is sourced from PubChem (CID 69457742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).