N-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide

C16H18N4O3 — CID 91791993

IUPACN-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2nc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C16H18N4O3/c1-2-17-14(21)10-7-8-20(9-10)16(23)13-15(22)19-12-6-4-3-5-11(12)18-13/h3-6,10H,2,7-9H2,1H3,(H,17,21)(H,19,22)
InChIKeyIGTWFASNWIJMEF-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.52
Rot. Bonds3

About N-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide

N-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 91791993) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide
PubChem CID91791993
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC NameN-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2nc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C16H18N4O3/c1-2-17-14(21)10-7-8-20(9-10)16(23)13-15(22)19-12-6-4-3-5-11(12)18-13/h3-6,10H,2,7-9H2,1H3,(H,17,21)(H,19,22)
InChIKeyIGTWFASNWIJMEF-UHFFFAOYSA-N
XLogP0.52
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3S)-1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-3-yl]benzoic acid
CID 97199385
3-[3-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
CID 57329512
(3S)-N-ethyl-1-(3-quinoxalin-2-ylbenzoyl)pyrrolidine-3-carboxamide
CID 126440042
1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110741848
(4R)-4-[(2S)-butan-2-yl]-3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23935959
3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
CID 143678915
N-ethyl-1-(2-methoxyquinoline-3-carbonyl)piperidine-3-carboxamide
CID 155959941
3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 23939275
N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 10444556
(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 92716066
3-[(2S)-2-(anilinomethyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
CID 68748124
3-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-quinoxalin-2-one
CID 5018476

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide (CID 91791993) is N-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide is CCNC(=O)C1CCN(C(=O)c2nc3ccccc3[nH]c2=O)C1.
What is the InChIKey of N-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is IGTWFASNWIJMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-2-17-14(21)10-7-8-20(9-10)16(23)13-15(22)19-12-6-4-3-5-11(12)18-13/h3-6,10H,2,7-9H2,1H3,(H,17,21)(H,19,22).
What are the key properties of N-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide?
N-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91791993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).