(3S)-N-ethyl-1-(3-quinoxalin-2-ylbenzoyl)pyrrolidine-3-carboxamide

C22H22N4O2 — CID 126440042

IUPAC(3S)-N-ethyl-1-(3-quinoxalin-2-ylbenzoyl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCN(C(=O)c2cccc(-c3cnc4ccccc4n3)c2)C1
InChIInChI=1S/C22H22N4O2/c1-2-23-21(27)17-10-11-26(14-17)22(28)16-7-5-6-15(12-16)20-13-24-18-8-3-4-9-19(18)25-20/h3-9,12-13,17H,2,10-11,14H2,1H3,(H,23,27)/t17-/m0/s1
InChIKeySZIFUWBZUXZJGA-KRWDZBQOSA-N
MW374.44 g/mol
LogP2.89
Rot. Bonds4

About (3S)-N-ethyl-1-(3-quinoxalin-2-ylbenzoyl)pyrrolidine-3-carboxamide

(3S)-N-ethyl-1-(3-quinoxalin-2-ylbenzoyl)pyrrolidine-3-carboxamide (PubChem CID 126440042) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is (3S)-N-ethyl-1-(3-quinoxalin-2-ylbenzoyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-1-(3-quinoxalin-2-ylbenzoyl)pyrrolidine-3-carboxamide
PubChem CID126440042
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name(3S)-N-ethyl-1-(3-quinoxalin-2-ylbenzoyl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCN(C(=O)c2cccc(-c3cnc4ccccc4n3)c2)C1
InChIInChI=1S/C22H22N4O2/c1-2-23-21(27)17-10-11-26(14-17)22(28)16-7-5-6-15(12-16)20-13-24-18-8-3-4-9-19(18)25-20/h3-9,12-13,17H,2,10-11,14H2,1H3,(H,23,27)/t17-/m0/s1
InChIKeySZIFUWBZUXZJGA-KRWDZBQOSA-N
XLogP2.89
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-ethyl-1-[3-(3-methyl-2-pyridinyl)benzoyl]pyrrolidine-3-carboxamide
CID 125178146
1-[3-(4-chloro-2-methylphenyl)benzoyl]-N-ethylpyrrolidine-3-carboxamide
CID 119070931
N-ethyl-1-[3-(2-phenylethoxy)benzoyl]pyrrolidine-3-carboxamide
CID 131901390
N-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide
CID 91791993
(3S)-N-ethyl-1-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-3-carboxamide
CID 95213030
N-ethyl-1-(2-methoxyquinoline-3-carbonyl)piperidine-3-carboxamide
CID 155959941
N-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide
CID 61294389
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone
CID 125179666
(3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 125178178
1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 110350917
[3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 159555657
N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide
CID 119481465

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-1-(3-quinoxalin-2-ylbenzoyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-ethyl-1-(3-quinoxalin-2-ylbenzoyl)pyrrolidine-3-carboxamide (CID 126440042) is (3S)-N-ethyl-1-(3-quinoxalin-2-ylbenzoyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-1-(3-quinoxalin-2-ylbenzoyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-ethyl-1-(3-quinoxalin-2-ylbenzoyl)pyrrolidine-3-carboxamide is CCNC(=O)[C@H]1CCN(C(=O)c2cccc(-c3cnc4ccccc4n3)c2)C1.
What is the InChIKey of (3S)-N-ethyl-1-(3-quinoxalin-2-ylbenzoyl)pyrrolidine-3-carboxamide?
The InChIKey is SZIFUWBZUXZJGA-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-2-23-21(27)17-10-11-26(14-17)22(28)16-7-5-6-15(12-16)20-13-24-18-8-3-4-9-19(18)25-20/h3-9,12-13,17H,2,10-11,14H2,1H3,(H,23,27)/t17-/m0/s1.
What are the key properties of (3S)-N-ethyl-1-(3-quinoxalin-2-ylbenzoyl)pyrrolidine-3-carboxamide?
(3S)-N-ethyl-1-(3-quinoxalin-2-ylbenzoyl)pyrrolidine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-1-(3-quinoxalin-2-ylbenzoyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 126440042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).