6-methoxy-7-[(2S,3S)-1-(methylamino)-2-phenylpiperidin-3-yl]-1-propan-2-yl-3,4-dihydroquinolin-2-one

C25H33N3O2 — CID 154076750

IUPAC6-methoxy-7-[(2S,3S)-1-(methylamino)-2-phenylpiperidin-3-yl]-1-propan-2-yl-3,4-dihydroquinolin-2-one
SMILESCNN1CCC[C@@H](c2cc3c(cc2OC)CCC(=O)N3C(C)C)[C@H]1c1ccccc1
InChIInChI=1S/C25H33N3O2/c1-17(2)28-22-16-21(23(30-4)15-19(22)12-13-24(28)29)20-11-8-14-27(26-3)25(20)18-9-6-5-7-10-18/h5-7,9-10,15-17,20,25-26H,8,11-14H2,1-4H3/t20-,25+/m0/s1
InChIKeySGCJGFMUKAALFI-NBGIEHNGSA-N
MW407.56 g/mol
LogP4.44
Rot. Bonds5

About 6-methoxy-7-[(2S,3S)-1-(methylamino)-2-phenylpiperidin-3-yl]-1-propan-2-yl-3,4-dihydroquinolin-2-one

6-methoxy-7-[(2S,3S)-1-(methylamino)-2-phenylpiperidin-3-yl]-1-propan-2-yl-3,4-dihydroquinolin-2-one (PubChem CID 154076750) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 6-methoxy-7-[(2S,3S)-1-(methylamino)-2-phenylpiperidin-3-yl]-1-propan-2-yl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-methoxy-7-[(2S,3S)-1-(methylamino)-2-phenylpiperidin-3-yl]-1-propan-2-yl-3,4-dihydroquinolin-2-one
PubChem CID154076750
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name6-methoxy-7-[(2S,3S)-1-(methylamino)-2-phenylpiperidin-3-yl]-1-propan-2-yl-3,4-dihydroquinolin-2-one
SMILESCNN1CCC[C@@H](c2cc3c(cc2OC)CCC(=O)N3C(C)C)[C@H]1c1ccccc1
InChIInChI=1S/C25H33N3O2/c1-17(2)28-22-16-21(23(30-4)15-19(22)12-13-24(28)29)20-11-8-14-27(26-3)25(20)18-9-6-5-7-10-18/h5-7,9-10,15-17,20,25-26H,8,11-14H2,1-4H3/t20-,25+/m0/s1
InChIKeySGCJGFMUKAALFI-NBGIEHNGSA-N
XLogP4.44
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-7-[(2S,3S)-1-(methylamino)-2-phenylpiperidin-3-yl]-1-propan-2-yl-3,4-dihydroquinolin-2-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

7-[[(2S,3S)-1-amino-2-phenylpiperidin-3-yl]methyl]-1-(difluoromethyl)-6-methoxy-3,4-dihydroquinolin-2-one;dihydrochloride
CID 172724889
1,7-di(propan-2-yl)-3,4-dihydroquinolin-2-one;ethane
CID 177158483
6-methoxy-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one
CID 58575678
benzyl N-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)carbamate
CID 54242778
methyl (1R,11bR)-9,10-dimethoxy-4-oxo-2-phenyl-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizine-1-carboxylate
CID 15267626
6-[2-(methylamino)ethyl]-1-propan-2-yl-3,4-dihydroquinolin-2-one
CID 117044162
7-[[(2S,3S)-1-amino-2-phenylpiperidin-3-yl]methyl]-6-methoxy-1,3-dimethyl-3,4-dihydroquinolin-2-one
CID 160723313
3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 82157135
6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 11022872
(4S,5S)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylpyrrolidin-2-one
CID 29147871
tert-butyl (3R,5S,10R)-10-(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-phenyl-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 90982828
3,4-diphenylcycloheptan-1-one;ethane
CID 123156806

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-[(2S,3S)-1-(methylamino)-2-phenylpiperidin-3-yl]-1-propan-2-yl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-methoxy-7-[(2S,3S)-1-(methylamino)-2-phenylpiperidin-3-yl]-1-propan-2-yl-3,4-dihydroquinolin-2-one (CID 154076750) is 6-methoxy-7-[(2S,3S)-1-(methylamino)-2-phenylpiperidin-3-yl]-1-propan-2-yl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-methoxy-7-[(2S,3S)-1-(methylamino)-2-phenylpiperidin-3-yl]-1-propan-2-yl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-methoxy-7-[(2S,3S)-1-(methylamino)-2-phenylpiperidin-3-yl]-1-propan-2-yl-3,4-dihydroquinolin-2-one is CNN1CCC[C@@H](c2cc3c(cc2OC)CCC(=O)N3C(C)C)[C@H]1c1ccccc1.
What is the InChIKey of 6-methoxy-7-[(2S,3S)-1-(methylamino)-2-phenylpiperidin-3-yl]-1-propan-2-yl-3,4-dihydroquinolin-2-one?
The InChIKey is SGCJGFMUKAALFI-NBGIEHNGSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-17(2)28-22-16-21(23(30-4)15-19(22)12-13-24(28)29)20-11-8-14-27(26-3)25(20)18-9-6-5-7-10-18/h5-7,9-10,15-17,20,25-26H,8,11-14H2,1-4H3/t20-,25+/m0/s1.
What are the key properties of 6-methoxy-7-[(2S,3S)-1-(methylamino)-2-phenylpiperidin-3-yl]-1-propan-2-yl-3,4-dihydroquinolin-2-one?
6-methoxy-7-[(2S,3S)-1-(methylamino)-2-phenylpiperidin-3-yl]-1-propan-2-yl-3,4-dihydroquinolin-2-one has a molecular weight of 407.56 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-[(2S,3S)-1-(methylamino)-2-phenylpiperidin-3-yl]-1-propan-2-yl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 154076750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).