1-(3-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide

C22H22ClN3O3 — CID 53125838

IUPAC1-(3-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC(=O)N1CCCc2ccccc21)C1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C22H22ClN3O3/c23-17-7-3-8-18(12-17)26-14-16(11-20(26)27)22(29)24-13-21(28)25-10-4-6-15-5-1-2-9-19(15)25/h1-3,5,7-9,12,16H,4,6,10-11,13-14H2,(H,24,29)
InChIKeyGLXQMLHJJYFPOO-UHFFFAOYSA-N
MW411.89 g/mol
LogP2.79
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide

1-(3-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 53125838) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID53125838
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name1-(3-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC(=O)N1CCCc2ccccc21)C1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C22H22ClN3O3/c23-17-7-3-8-18(12-17)26-14-16(11-20(26)27)22(29)24-13-21(28)25-10-4-6-15-5-1-2-9-19(15)25/h1-3,5,7-9,12,16H,4,6,10-11,13-14H2,(H,24,29)
InChIKeyGLXQMLHJJYFPOO-UHFFFAOYSA-N
XLogP2.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(4R)-1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 7337151
N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 43059071
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673139
1-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 113190991
1-(3-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 46401098
1-(3-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187439
(3S)-N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 100899532
3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110370874
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110620154
1-(3-bromophenyl)-N'-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 43059070
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585
(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 35503338

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide (CID 53125838) is 1-(3-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCC(=O)N1CCCc2ccccc21)C1CC(=O)N(c2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GLXQMLHJJYFPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c23-17-7-3-8-18(12-17)26-14-16(11-20(26)27)22(29)24-13-21(28)25-10-4-6-15-5-1-2-9-19(15)25/h1-3,5,7-9,12,16H,4,6,10-11,13-14H2,(H,24,29).
What are the key properties of 1-(3-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
1-(3-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 53125838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).