N-(quinoxalin-6-ylmethyl)propanamide

C12H13N3O — CID 110672190

IUPACN-(quinoxalin-6-ylmethyl)propanamide
SMILESCCC(=O)NCc1ccc2nccnc2c1
InChIInChI=1S/C12H13N3O/c1-2-12(16)15-8-9-3-4-10-11(7-9)14-6-5-13-10/h3-7H,2,8H2,1H3,(H,15,16)
InChIKeyQTYWFUUZDPLBTE-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.66
Rot. Bonds3

About N-(quinoxalin-6-ylmethyl)propanamide

N-(quinoxalin-6-ylmethyl)propanamide (PubChem CID 110672190) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(quinoxalin-6-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(quinoxalin-6-ylmethyl)propanamide
PubChem CID110672190
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(quinoxalin-6-ylmethyl)propanamide
SMILESCCC(=O)NCc1ccc2nccnc2c1
InChIInChI=1S/C12H13N3O/c1-2-12(16)15-8-9-3-4-10-11(7-9)14-6-5-13-10/h3-7H,2,8H2,1H3,(H,15,16)
InChIKeyQTYWFUUZDPLBTE-UHFFFAOYSA-N
XLogP1.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-oxo-4-(quinoxalin-6-ylmethylamino)butanoate
CID 110672198
2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide
CID 110672201
N-(quinoxalin-6-ylmethyl)ethanamine
CID 62848680
N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide
CID 110672196
N-[(4-acetylphenyl)methyl]propanamide
CID 20825268
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide
CID 17410522
N-(quinoxalin-6-ylmethyl)propan-2-amine
CID 62848682
N-[(4-methyl-3-sulfanylphenyl)methyl]propanamide
CID 91363182
3-[(propanoylamino)methyl]benzoic acid
CID 20745849
3-[(propanoylamino)methyl]benzamide
CID 32636451
N-[(3-bromo-4-fluorophenyl)methyl]propanamide
CID 91448069
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125

Frequently Asked Questions

What is the IUPAC name of N-(quinoxalin-6-ylmethyl)propanamide?
The IUPAC name of N-(quinoxalin-6-ylmethyl)propanamide (CID 110672190) is N-(quinoxalin-6-ylmethyl)propanamide.
What is the SMILES notation for N-(quinoxalin-6-ylmethyl)propanamide?
The canonical SMILES for N-(quinoxalin-6-ylmethyl)propanamide is CCC(=O)NCc1ccc2nccnc2c1.
What is the InChIKey of N-(quinoxalin-6-ylmethyl)propanamide?
The InChIKey is QTYWFUUZDPLBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-12(16)15-8-9-3-4-10-11(7-9)14-6-5-13-10/h3-7H,2,8H2,1H3,(H,15,16).
What are the key properties of N-(quinoxalin-6-ylmethyl)propanamide?
N-(quinoxalin-6-ylmethyl)propanamide has a molecular weight of 215.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinoxalin-6-ylmethyl)propanamide is sourced from PubChem (CID 110672190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).