3-oxo-N-propyl-4H-quinoxaline-2-carboxamide

C12H13N3O2 — CID 143678915

IUPAC3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
SMILESCCCNC(=O)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C12H13N3O2/c1-2-7-13-11(16)10-12(17)15-9-6-4-3-5-8(9)14-10/h3-6H,2,7H2,1H3,(H,13,16)(H,15,17)
InChIKeyCRCNJENRJHNBKY-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.06
Rot. Bonds3

About 3-oxo-N-propyl-4H-quinoxaline-2-carboxamide

3-oxo-N-propyl-4H-quinoxaline-2-carboxamide (PubChem CID 143678915) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-oxo-N-propyl-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
PubChem CID143678915
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
SMILESCCCNC(=O)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C12H13N3O2/c1-2-7-13-11(16)10-12(17)15-9-6-4-3-5-8(9)14-10/h3-6H,2,7H2,1H3,(H,13,16)(H,15,17)
InChIKeyCRCNJENRJHNBKY-UHFFFAOYSA-N
XLogP1.06
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 10444556
N-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide
CID 56714407
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 56702804
3-(propylamino)-1H-quinoxalin-2-one
CID 167442718
N-[2-(4-ethylmorpholin-2-yl)ethyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 56702354
1-(1H-benzimidazol-2-ylmethyl)-3-propylurea
CID 47120671
N-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide
CID 53016080
3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one
CID 13425945
2-methyl-4-[1-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]propan-2-yloxy]butanoic acid
CID 67149616
2-(1H-benzimidazol-2-yl)-N-butylacetamide
CID 3852846
3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-dipropyl-1,2-oxazole-4,5-dicarboxamide
CID 24789223
methyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate
CID 50952721

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-propyl-4H-quinoxaline-2-carboxamide?
The IUPAC name of 3-oxo-N-propyl-4H-quinoxaline-2-carboxamide (CID 143678915) is 3-oxo-N-propyl-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for 3-oxo-N-propyl-4H-quinoxaline-2-carboxamide?
The canonical SMILES for 3-oxo-N-propyl-4H-quinoxaline-2-carboxamide is CCCNC(=O)c1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-oxo-N-propyl-4H-quinoxaline-2-carboxamide?
The InChIKey is CRCNJENRJHNBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-7-13-11(16)10-12(17)15-9-6-4-3-5-8(9)14-10/h3-6H,2,7H2,1H3,(H,13,16)(H,15,17).
What are the key properties of 3-oxo-N-propyl-4H-quinoxaline-2-carboxamide?
3-oxo-N-propyl-4H-quinoxaline-2-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-propyl-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 143678915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).