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

C14H17N3O — CID 110869651

IUPAC2-methyl-N-[(3-methylquinoxalin-2-yl)methyl]propanamide
SMILESCc1nc2ccccc2nc1CNC(=O)C(C)C
InChIInChI=1S/C14H17N3O/c1-9(2)14(18)15-8-13-10(3)16-11-6-4-5-7-12(11)17-13/h4-7,9H,8H2,1-3H3,(H,15,18)
InChIKeyMPCDMVMXLNBFEI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.21
Rot. Bonds3

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

2-methyl-N-[(3-methylquinoxalin-2-yl)methyl]propanamide (PubChem CID 110869651) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-N-[(3-methylquinoxalin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3-methylquinoxalin-2-yl)methyl]propanamide
PubChem CID110869651
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-methyl-N-[(3-methylquinoxalin-2-yl)methyl]propanamide
SMILESCc1nc2ccccc2nc1CNC(=O)C(C)C
InChIInChI=1S/C14H17N3O/c1-9(2)14(18)15-8-13-10(3)16-11-6-4-5-7-12(11)17-13/h4-7,9H,8H2,1-3H3,(H,15,18)
InChIKeyMPCDMVMXLNBFEI-UHFFFAOYSA-N
XLogP2.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylquinoxalin-2-yl)methyl]butanamide
CID 110869650
ethyl N-[(3-methylquinoxalin-2-yl)methyl]carbamate
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CID 64694185
2-methyl-N-(quinolin-3-ylmethyl)propanamide
CID 110733747
N-benzyl-2-methylpropanamide;methane
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N-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide
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CID 169133923
2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide
CID 17006187
(2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine
CID 95757700
2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737460
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
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2-methyl-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]propanamide
CID 47342907

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methylquinoxalin-2-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(3-methylquinoxalin-2-yl)methyl]propanamide (CID 110869651) is 2-methyl-N-[(3-methylquinoxalin-2-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(3-methylquinoxalin-2-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(3-methylquinoxalin-2-yl)methyl]propanamide is Cc1nc2ccccc2nc1CNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(3-methylquinoxalin-2-yl)methyl]propanamide?
The InChIKey is MPCDMVMXLNBFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9(2)14(18)15-8-13-10(3)16-11-6-4-5-7-12(11)17-13/h4-7,9H,8H2,1-3H3,(H,15,18).
What are the key properties of 2-methyl-N-[(3-methylquinoxalin-2-yl)methyl]propanamide?
2-methyl-N-[(3-methylquinoxalin-2-yl)methyl]propanamide has a molecular weight of 243.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methylquinoxalin-2-yl)methyl]propanamide is sourced from PubChem (CID 110869651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).