2-methyl-N-(quinolin-3-ylmethyl)propanamide

C14H16N2O — CID 110733747

IUPAC2-methyl-N-(quinolin-3-ylmethyl)propanamide
SMILESCC(C)C(=O)NCc1cnc2ccccc2c1
InChIInChI=1S/C14H16N2O/c1-10(2)14(17)16-9-11-7-12-5-3-4-6-13(12)15-8-11/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyAEMHVFQUEAHXHA-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.51
Rot. Bonds3

About 2-methyl-N-(quinolin-3-ylmethyl)propanamide

2-methyl-N-(quinolin-3-ylmethyl)propanamide (PubChem CID 110733747) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-methyl-N-(quinolin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(quinolin-3-ylmethyl)propanamide
PubChem CID110733747
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-methyl-N-(quinolin-3-ylmethyl)propanamide
SMILESCC(C)C(=O)NCc1cnc2ccccc2c1
InChIInChI=1S/C14H16N2O/c1-10(2)14(17)16-9-11-7-12-5-3-4-6-13(12)15-8-11/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyAEMHVFQUEAHXHA-UHFFFAOYSA-N
XLogP2.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(quinolin-3-ylmethyl)butanamide
CID 110733756
2-(2-fluorophenyl)-N-(quinolin-3-ylmethyl)acetamide
CID 110733805
1-(quinolin-3-ylmethylamino)ethanol
CID 143559456
2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide
CID 110733803
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
3-hydroxy-N-(quinolin-3-ylmethyl)benzamide
CID 110472397
2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide
CID 110745511
2-(2-methylphenoxy)-N-(quinolin-3-ylmethyl)acetamide
CID 110733809
cis-(1R,3S)-5-(quinolin-3-ylmethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid
CID 167873858
3-(2-methylpropyl)quinoline
CID 12072851
molecular hydrogen;N-(quinolin-3-ylmethyl)butan-2-amine
CID 142196706
methyl 3-(quinolin-3-ylmethylamino)propanoate
CID 114203484

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(quinolin-3-ylmethyl)propanamide?
The IUPAC name of 2-methyl-N-(quinolin-3-ylmethyl)propanamide (CID 110733747) is 2-methyl-N-(quinolin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(quinolin-3-ylmethyl)propanamide?
The canonical SMILES for 2-methyl-N-(quinolin-3-ylmethyl)propanamide is CC(C)C(=O)NCc1cnc2ccccc2c1.
What is the InChIKey of 2-methyl-N-(quinolin-3-ylmethyl)propanamide?
The InChIKey is AEMHVFQUEAHXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10(2)14(17)16-9-11-7-12-5-3-4-6-13(12)15-8-11/h3-8,10H,9H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-N-(quinolin-3-ylmethyl)propanamide?
2-methyl-N-(quinolin-3-ylmethyl)propanamide has a molecular weight of 228.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(quinolin-3-ylmethyl)propanamide is sourced from PubChem (CID 110733747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).