(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one

C22H24N2O4 — CID 35503338

IUPAC(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2C[C@@H](C(=O)N3CCCc4ccccc43)CC2=O)cc1OC
InChIInChI=1S/C22H24N2O4/c1-27-19-10-9-17(13-20(19)28-2)24-14-16(12-21(24)25)22(26)23-11-5-7-15-6-3-4-8-18(15)23/h3-4,6,8-10,13,16H,5,7,11-12,14H2,1-2H3/t16-/m0/s1
InChIKeyCGCWTMJNDRUBBE-INIZCTEOSA-N
MW380.44 g/mol
LogP3.04
Rot. Bonds4

About (4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one

(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one (PubChem CID 35503338) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
PubChem CID35503338
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2C[C@@H](C(=O)N3CCCc4ccccc43)CC2=O)cc1OC
InChIInChI=1S/C22H24N2O4/c1-27-19-10-9-17(13-20(19)28-2)24-14-16(12-21(24)25)22(26)23-11-5-7-15-6-3-4-8-18(15)23/h3-4,6,8-10,13,16H,5,7,11-12,14H2,1-2H3/t16-/m0/s1
InChIKeyCGCWTMJNDRUBBE-INIZCTEOSA-N
XLogP3.04
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 7337151
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 9395508
1-(1,3-benzodioxol-5-yl)-4-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 43066707
4-(2,3-dihydroindole-1-carbonyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 113185135
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188578
1-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 113190991
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
(4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 26290450
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 47166895
N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 7215319
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2129156
(3S)-1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 125149004

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one (CID 35503338) is (4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one is COc1ccc(N2C[C@@H](C(=O)N3CCCc4ccccc43)CC2=O)cc1OC.
What is the InChIKey of (4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one?
The InChIKey is CGCWTMJNDRUBBE-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-27-19-10-9-17(13-20(19)28-2)24-14-16(12-21(24)25)22(26)23-11-5-7-15-6-3-4-8-18(15)23/h3-4,6,8-10,13,16H,5,7,11-12,14H2,1-2H3/t16-/m0/s1.
What are the key properties of (4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one?
(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one has a molecular weight of 380.44 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 35503338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).