1-(1,3-benzodioxol-5-yl)-4-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one

C22H22N2O5 — CID 43066707

IUPAC1-(1,3-benzodioxol-5-yl)-4-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
SMILESCOc1cccc2c1N(C(=O)C1CC(=O)N(c3ccc4c(c3)OCO4)C1)CCC2
InChIInChI=1S/C22H22N2O5/c1-27-18-6-2-4-14-5-3-9-23(21(14)18)22(26)15-10-20(25)24(12-15)16-7-8-17-19(11-16)29-13-28-17/h2,4,6-8,11,15H,3,5,9-10,12-13H2,1H3
InChIKeyUKQTZLPBQUUKRG-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.76
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-4-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one

1-(1,3-benzodioxol-5-yl)-4-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one (PubChem CID 43066707) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-4-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-4-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
PubChem CID43066707
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name1-(1,3-benzodioxol-5-yl)-4-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
SMILESCOc1cccc2c1N(C(=O)C1CC(=O)N(c3ccc4c(c3)OCO4)C1)CCC2
InChIInChI=1S/C22H22N2O5/c1-27-18-6-2-4-14-5-3-9-23(21(14)18)22(26)15-10-20(25)24(12-15)16-7-8-17-19(11-16)29-13-28-17/h2,4,6-8,11,15H,3,5,9-10,12-13H2,1H3
InChIKeyUKQTZLPBQUUKRG-UHFFFAOYSA-N
XLogP2.76
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzodioxol-5-yl)-4-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-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

(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 35503338
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 112835693
1-(1,3-benzodioxol-5-yl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 84503528
(4S)-1-(1,3-benzodioxol-5-yl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 31857788
(4R)-1-(1,3-benzodioxol-5-yl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 31857784
1-(1,3-benzodioxol-5-yl)-4-(3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 166213816
1-(1,3-benzodioxol-5-yl)-N'-(3,4-dimethoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55581456
1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108791219
(4R)-4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-1-(1,3-benzodioxol-5-yl)pyrrolidin-2-one
CID 30841472
1-(1,3-benzodioxol-5-yl)-N-methoxy-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46588966
1-(1,3-benzodioxol-5-yl)-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 43060493
N-(1,3-benzodioxol-5-yl)-1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 43057084

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-4-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-4-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one (CID 43066707) is 1-(1,3-benzodioxol-5-yl)-4-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-4-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-4-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one is COc1cccc2c1N(C(=O)C1CC(=O)N(c3ccc4c(c3)OCO4)C1)CCC2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-4-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one?
The InChIKey is UKQTZLPBQUUKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-27-18-6-2-4-14-5-3-9-23(21(14)18)22(26)15-10-20(25)24(12-15)16-7-8-17-19(11-16)29-13-28-17/h2,4,6-8,11,15H,3,5,9-10,12-13H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-4-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one?
1-(1,3-benzodioxol-5-yl)-4-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one has a molecular weight of 394.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-4-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 43066707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).