(2S)-N-(furan-2-ylmethyl)-1-[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]pyrrolidine-2-carboxamide

C20H21N3O4 — CID 97016759

IUPAC(2S)-N-(furan-2-ylmethyl)-1-[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]pyrrolidine-2-carboxamide
SMILESO=C1C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)c2ccccc2N1
InChIInChI=1S/C20H21N3O4/c24-18-11-15(14-6-1-2-7-16(14)22-18)20(26)23-9-3-8-17(23)19(25)21-12-13-5-4-10-27-13/h1-2,4-7,10,15,17H,3,8-9,11-12H2,(H,21,25)(H,22,24)/t15-,17-/m0/s1
InChIKeyLIWGEHVGLJBOLL-RDJZCZTQSA-N
MW367.41 g/mol
LogP2.01
Rot. Bonds4

About (2S)-N-(furan-2-ylmethyl)-1-[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]pyrrolidine-2-carboxamide

(2S)-N-(furan-2-ylmethyl)-1-[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 97016759) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-1-[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-1-[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]pyrrolidine-2-carboxamide
PubChem CID97016759
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name(2S)-N-(furan-2-ylmethyl)-1-[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]pyrrolidine-2-carboxamide
SMILESO=C1C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)c2ccccc2N1
InChIInChI=1S/C20H21N3O4/c24-18-11-15(14-6-1-2-7-16(14)22-18)20(26)23-9-3-8-17(23)19(25)21-12-13-5-4-10-27-13/h1-2,4-7,10,15,17H,3,8-9,11-12H2,(H,21,25)(H,22,24)/t15-,17-/m0/s1
InChIKeyLIWGEHVGLJBOLL-RDJZCZTQSA-N
XLogP2.01
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(furan-2-ylmethyl)-1-[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]pyrrolidine-2-carboxamide 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

(2R)-N-(furan-2-ylmethyl)-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide
CID 40958031
4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672807
(2R)-N-(furan-2-ylmethyl)-1-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]pyrrolidine-2-carboxamide
CID 7094974
(2S)-N-(furan-2-ylmethyl)-1-[(2S,3S)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]pyrrolidine-2-carboxamide
CID 124841135
tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
CID 51147296
(2S)-N-(furan-2-ylmethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide
CID 97185337
(2R)-N-(furan-2-ylmethyl)-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 95148543
1-(2-ethyl-1,3-thiazole-5-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 86847544
tert-butyl 3-[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 4912343
(2S)-1-N-(4-chlorophenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468967
(2S)-1-(2,4-dimethylbenzoyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95292121
1-(2-bromo-5-chlorobenzoyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 78858029

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-1-[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-1-[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]pyrrolidine-2-carboxamide (CID 97016759) is (2S)-N-(furan-2-ylmethyl)-1-[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-1-[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-1-[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]pyrrolidine-2-carboxamide is O=C1C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)c2ccccc2N1.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-1-[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is LIWGEHVGLJBOLL-RDJZCZTQSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-18-11-15(14-6-1-2-7-16(14)22-18)20(26)23-9-3-8-17(23)19(25)21-12-13-5-4-10-27-13/h1-2,4-7,10,15,17H,3,8-9,11-12H2,(H,21,25)(H,22,24)/t15-,17-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-1-[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]pyrrolidine-2-carboxamide?
(2S)-N-(furan-2-ylmethyl)-1-[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-1-[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 97016759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).