(2S)-N-(furan-2-ylmethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide

C20H19N3O4 — CID 97185337

IUPAC(2S)-N-(furan-2-ylmethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H19N3O4/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/h1-2,4-7,10-11,17H,3,8-9,12H2,(H,21,25)(H,22,24)/t17-/m0/s1
InChIKeyLKFFCHPYOQTNIA-KRWDZBQOSA-N
MW365.39 g/mol
LogP2.04
Rot. Bonds4

About (2S)-N-(furan-2-ylmethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-(furan-2-ylmethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 97185337) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide
PubChem CID97185337
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(2S)-N-(furan-2-ylmethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H19N3O4/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/h1-2,4-7,10-11,17H,3,8-9,12H2,(H,21,25)(H,22,24)/t17-/m0/s1
InChIKeyLKFFCHPYOQTNIA-KRWDZBQOSA-N
XLogP2.04
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide
CID 78850429
(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
(2R)-1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 94826679
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrole-3-carbonyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 167769833
(2S)-N-(furan-2-ylmethyl)-1-[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]pyrrolidine-2-carboxamide
CID 97016759
(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
4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672807
(2S)-N-(furan-2-ylmethyl)-1-(3-nitrobenzoyl)pyrrolidine-2-carboxamide
CID 95160075
(2R)-1-[2-(3-fluorophenyl)acetyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95282764
tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
CID 51147296

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide (CID 97185337) is (2S)-N-(furan-2-ylmethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide is O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is LKFFCHPYOQTNIA-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N3O4/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/h1-2,4-7,10-11,17H,3,8-9,12H2,(H,21,25)(H,22,24)/t17-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-(furan-2-ylmethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.04, 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-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 97185337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).