(3R)-1-(4-chlorophenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide

C21H22ClN3O4S — CID 51896458

IUPAC(3R)-1-(4-chlorophenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc21
InChIInChI=1S/C21H22ClN3O4S/c1-30(28,29)25-10-2-3-14-4-7-17(12-19(14)25)23-21(27)15-11-20(26)24(13-15)18-8-5-16(22)6-9-18/h4-9,12,15H,2-3,10-11,13H2,1H3,(H,23,27)/t15-/m1/s1
InChIKeyKTDASEURDCIRMV-OAHLLOKOSA-N
MW447.94 g/mol
LogP3.04
Rot. Bonds4

About (3R)-1-(4-chlorophenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-chlorophenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 51896458) has the molecular formula C21H22ClN3O4S and a molecular weight of 447.94 g/mol. Its IUPAC name is (3R)-1-(4-chlorophenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-chlorophenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID51896458
Molecular FormulaC21H22ClN3O4S
Molecular Weight447.94 g/mol
Exact Mass447.10
IUPAC Name(3R)-1-(4-chlorophenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc21
InChIInChI=1S/C21H22ClN3O4S/c1-30(28,29)25-10-2-3-14-4-7-17(12-19(14)25)23-21(27)15-11-20(26)24(13-15)18-8-5-16(22)6-9-18/h4-9,12,15H,2-3,10-11,13H2,1H3,(H,23,27)/t15-/m1/s1
InChIKeyKTDASEURDCIRMV-OAHLLOKOSA-N
XLogP3.04
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.94
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-tert-butyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide
CID 92612262
1-(4-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187469
4-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 2983118
1-(4-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55871843
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
(3R)-1-(4-chlorophenyl)-5-oxo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)pyrrolidine-3-carboxamide
CID 95367754
(3S)-N-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6553260
N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3114278
(3S)-N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7375127
(3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1366068
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
(3S)-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704383

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorophenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-chlorophenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide (CID 51896458) is (3R)-1-(4-chlorophenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-chlorophenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-chlorophenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide is CS(=O)(=O)N1CCCc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc21.
What is the InChIKey of (3R)-1-(4-chlorophenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KTDASEURDCIRMV-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22ClN3O4S/c1-30(28,29)25-10-2-3-14-4-7-17(12-19(14)25)23-21(27)15-11-20(26)24(13-15)18-8-5-16(22)6-9-18/h4-9,12,15H,2-3,10-11,13H2,1H3,(H,23,27)/t15-/m1/s1.
What are the key properties of (3R)-1-(4-chlorophenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-chlorophenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 447.94 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorophenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51896458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).