N-[(3-methylquinoxalin-2-yl)methyl]butanamide

C14H17N3O — CID 110869650

IUPACN-[(3-methylquinoxalin-2-yl)methyl]butanamide
SMILESCCCC(=O)NCc1nc2ccccc2nc1C
InChIInChI=1S/C14H17N3O/c1-3-6-14(18)15-9-13-10(2)16-11-7-4-5-8-12(11)17-13/h4-5,7-8H,3,6,9H2,1-2H3,(H,15,18)
InChIKeyRRLIZURFMXPXQL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.35
Rot. Bonds4

About N-[(3-methylquinoxalin-2-yl)methyl]butanamide

N-[(3-methylquinoxalin-2-yl)methyl]butanamide (PubChem CID 110869650) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(3-methylquinoxalin-2-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(3-methylquinoxalin-2-yl)methyl]butanamide
PubChem CID110869650
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[(3-methylquinoxalin-2-yl)methyl]butanamide
SMILESCCCC(=O)NCc1nc2ccccc2nc1C
InChIInChI=1S/C14H17N3O/c1-3-6-14(18)15-9-13-10(2)16-11-7-4-5-8-12(11)17-13/h4-5,7-8H,3,6,9H2,1-2H3,(H,15,18)
InChIKeyRRLIZURFMXPXQL-UHFFFAOYSA-N
XLogP2.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(3-methylquinoxalin-2-yl)methyl]carbamate
CID 110869683
2-methyl-N-[(3-methylquinoxalin-2-yl)methyl]propanamide
CID 110869651
N-(2-ethyl-3-methylquinolin-4-yl)butanamide
CID 787490
N-(pyrimidin-2-ylmethyl)butanamide
CID 89425553
4-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline
CID 20787666
N-phenazin-2-ylbutanamide
CID 73349412
(3-methylquinoxalin-2-yl)methanamine
CID 69010105
N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 135506328
N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866
N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 135451367
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide
CID 108737483
N-[(4-methylphenyl)methyl]butanamide
CID 835678

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylquinoxalin-2-yl)methyl]butanamide?
The IUPAC name of N-[(3-methylquinoxalin-2-yl)methyl]butanamide (CID 110869650) is N-[(3-methylquinoxalin-2-yl)methyl]butanamide.
What is the SMILES notation for N-[(3-methylquinoxalin-2-yl)methyl]butanamide?
The canonical SMILES for N-[(3-methylquinoxalin-2-yl)methyl]butanamide is CCCC(=O)NCc1nc2ccccc2nc1C.
What is the InChIKey of N-[(3-methylquinoxalin-2-yl)methyl]butanamide?
The InChIKey is RRLIZURFMXPXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-6-14(18)15-9-13-10(2)16-11-7-4-5-8-12(11)17-13/h4-5,7-8H,3,6,9H2,1-2H3,(H,15,18).
What are the key properties of N-[(3-methylquinoxalin-2-yl)methyl]butanamide?
N-[(3-methylquinoxalin-2-yl)methyl]butanamide has a molecular weight of 243.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylquinoxalin-2-yl)methyl]butanamide is sourced from PubChem (CID 110869650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).