3-amino-N-benzyl-7-methylquinoxaline-2-carboxamide

C17H16N4O — CID 58247232

IUPAC3-amino-N-benzyl-7-methylquinoxaline-2-carboxamide
SMILESCc1ccc2nc(N)c(C(=O)NCc3ccccc3)nc2c1
InChIInChI=1S/C17H16N4O/c1-11-7-8-13-14(9-11)20-15(16(18)21-13)17(22)19-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,21)(H,19,22)
InChIKeyOTQZWSBXQMTSRS-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.45
Rot. Bonds3

About 3-amino-N-benzyl-7-methylquinoxaline-2-carboxamide

3-amino-N-benzyl-7-methylquinoxaline-2-carboxamide (PubChem CID 58247232) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-amino-N-benzyl-7-methylquinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-benzyl-7-methylquinoxaline-2-carboxamide
PubChem CID58247232
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name3-amino-N-benzyl-7-methylquinoxaline-2-carboxamide
SMILESCc1ccc2nc(N)c(C(=O)NCc3ccccc3)nc2c1
InChIInChI=1S/C17H16N4O/c1-11-7-8-13-14(9-11)20-15(16(18)21-13)17(22)19-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,21)(H,19,22)
InChIKeyOTQZWSBXQMTSRS-UHFFFAOYSA-N
XLogP2.45
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-benzylquinoline-3-carboxamide
CID 14177193
N-benzyl-4-methylquinoline-2-carboxamide
CID 164678694
4-amino-N-benzyl-2-methylquinoline-6-carboxamide
CID 15133405
3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide
CID 68650974
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
N-benzyl-2-iodo-4-methylbenzamide
CID 100523072
5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 3238804
N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
CID 172623055
N-benzyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 1172225
2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 34167121
2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 1487920
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-7-methylquinoxaline-2-carboxamide?
The IUPAC name of 3-amino-N-benzyl-7-methylquinoxaline-2-carboxamide (CID 58247232) is 3-amino-N-benzyl-7-methylquinoxaline-2-carboxamide.
What is the SMILES notation for 3-amino-N-benzyl-7-methylquinoxaline-2-carboxamide?
The canonical SMILES for 3-amino-N-benzyl-7-methylquinoxaline-2-carboxamide is Cc1ccc2nc(N)c(C(=O)NCc3ccccc3)nc2c1.
What is the InChIKey of 3-amino-N-benzyl-7-methylquinoxaline-2-carboxamide?
The InChIKey is OTQZWSBXQMTSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-11-7-8-13-14(9-11)20-15(16(18)21-13)17(22)19-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,21)(H,19,22).
What are the key properties of 3-amino-N-benzyl-7-methylquinoxaline-2-carboxamide?
3-amino-N-benzyl-7-methylquinoxaline-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-7-methylquinoxaline-2-carboxamide is sourced from PubChem (CID 58247232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).