N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide

C18H15N3O2 — CID 110861072

IUPACN-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2nc3ccccc3nc2C)c1
InChIInChI=1S/C18H15N3O2/c1-11-17(21-16-9-4-3-8-15(16)19-11)18(23)20-14-7-5-6-13(10-14)12(2)22/h3-10H,1-2H3,(H,20,23)
InChIKeyGOMTUXVIFQSEQG-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.39
Rot. Bonds3

About N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide

N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide (PubChem CID 110861072) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide
PubChem CID110861072
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2nc3ccccc3nc2C)c1
InChIInChI=1S/C18H15N3O2/c1-11-17(21-16-9-4-3-8-15(16)19-11)18(23)20-14-7-5-6-13(10-14)12(2)22/h3-10H,1-2H3,(H,20,23)
InChIKeyGOMTUXVIFQSEQG-UHFFFAOYSA-N
XLogP3.39
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate
CID 110861762
N-(3-acetylphenyl)quinoline-3-carboxamide
CID 110694820
N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide
CID 110468819
N-(3-acetylphenyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780095
N-(3-acetylphenyl)-3,5-dimethylbenzamide
CID 969392
N-(3-acetylphenyl)naphthalene-2-carboxamide
CID 2274462
N-[4-(3-acetylanilino)phenyl]benzamide
CID 112988119
N-(3-acetylphenyl)-2-methylpyridine-3-carboxamide
CID 78950839
N-(3-acetylphenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224356
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836
N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
CID 62793864

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide (CID 110861072) is N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide is CC(=O)c1cccc(NC(=O)c2nc3ccccc3nc2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide?
The InChIKey is GOMTUXVIFQSEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-11-17(21-16-9-4-3-8-15(16)19-11)18(23)20-14-7-5-6-13(10-14)12(2)22/h3-10H,1-2H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide?
N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide is sourced from PubChem (CID 110861072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).