N-(3-methylquinoxalin-6-yl)butanamide

C13H15N3O — CID 154505426

IUPACN-(3-methylquinoxalin-6-yl)butanamide
SMILESCCCC(=O)Nc1ccc2ncc(C)nc2c1
InChIInChI=1S/C13H15N3O/c1-3-4-13(17)16-10-5-6-11-12(7-10)15-9(2)8-14-11/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyMBBZAKINASNQBW-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.68
Rot. Bonds3

About N-(3-methylquinoxalin-6-yl)butanamide

N-(3-methylquinoxalin-6-yl)butanamide (PubChem CID 154505426) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(3-methylquinoxalin-6-yl)butanamide.

Molecular Properties

Compound NameN-(3-methylquinoxalin-6-yl)butanamide
PubChem CID154505426
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(3-methylquinoxalin-6-yl)butanamide
SMILESCCCC(=O)Nc1ccc2ncc(C)nc2c1
InChIInChI=1S/C13H15N3O/c1-3-4-13(17)16-10-5-6-11-12(7-10)15-9(2)8-14-11/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyMBBZAKINASNQBW-UHFFFAOYSA-N
XLogP2.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylquinoxalin-6-yl)pentadecanamide
CID 44611336
N-phenazin-2-ylbutanamide
CID 73349412
N-(2-methyl-4-pyridinyl)butanamide
CID 78910950
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
N-(1,3-benzoxazol-6-yl)butanamide
CID 110728829
N-(2,3-dimethylquinoxalin-6-yl)propanamide
CID 110723790
N-isoquinolin-6-ylbutanamide
CID 118007953
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-(1-ethylbenzimidazol-5-yl)butanamide
CID 2973046
N-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-6-yl]butanamide
CID 50882295
N-(2-cyclopentyl-3H-benzimidazol-5-yl)butanamide
CID 110779431
N-[3-methyl-4-(methylamino)phenyl]butanamide
CID 175204219

Frequently Asked Questions

What is the IUPAC name of N-(3-methylquinoxalin-6-yl)butanamide?
The IUPAC name of N-(3-methylquinoxalin-6-yl)butanamide (CID 154505426) is N-(3-methylquinoxalin-6-yl)butanamide.
What is the SMILES notation for N-(3-methylquinoxalin-6-yl)butanamide?
The canonical SMILES for N-(3-methylquinoxalin-6-yl)butanamide is CCCC(=O)Nc1ccc2ncc(C)nc2c1.
What is the InChIKey of N-(3-methylquinoxalin-6-yl)butanamide?
The InChIKey is MBBZAKINASNQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-4-13(17)16-10-5-6-11-12(7-10)15-9(2)8-14-11/h5-8H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methylquinoxalin-6-yl)butanamide?
N-(3-methylquinoxalin-6-yl)butanamide has a molecular weight of 229.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylquinoxalin-6-yl)butanamide is sourced from PubChem (CID 154505426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).