2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide

C19H18N2O — CID 110733803

IUPAC2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide
SMILESCc1cccc(CC(=O)NCc2cnc3ccccc3c2)c1
InChIInChI=1S/C19H18N2O/c1-14-5-4-6-15(9-14)11-19(22)21-13-16-10-17-7-2-3-8-18(17)20-12-16/h2-10,12H,11,13H2,1H3,(H,21,22)
InChIKeyMYLRXGFNVBKXHM-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.40
Rot. Bonds4

About 2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide

2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide (PubChem CID 110733803) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide
PubChem CID110733803
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide
SMILESCc1cccc(CC(=O)NCc2cnc3ccccc3c2)c1
InChIInChI=1S/C19H18N2O/c1-14-5-4-6-15(9-14)11-19(22)21-13-16-10-17-7-2-3-8-18(17)20-12-16/h2-10,12H,11,13H2,1H3,(H,21,22)
InChIKeyMYLRXGFNVBKXHM-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylphenyl)-N-(quinolin-4-ylmethyl)acetamide
CID 110734253
2-(2-fluorophenyl)-N-(quinolin-3-ylmethyl)acetamide
CID 110733805
2-methyl-N-(quinolin-3-ylmethyl)propanamide
CID 110733747
2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide
CID 110745511
2-(2-methylphenoxy)-N-(quinolin-3-ylmethyl)acetamide
CID 110733809
2-ethyl-N-(quinolin-3-ylmethyl)butanamide
CID 110733756
3-hydroxy-N-(quinolin-3-ylmethyl)benzamide
CID 110472397
N-[(3-methylphenyl)methyl]isoquinoline-1-carboxamide
CID 110850819
3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
CID 110733832
2-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzoic acid
CID 115923659
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(3-methylphenyl)acetamide
CID 110660404
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide (CID 110733803) is 2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide is Cc1cccc(CC(=O)NCc2cnc3ccccc3c2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide?
The InChIKey is MYLRXGFNVBKXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14-5-4-6-15(9-14)11-19(22)21-13-16-10-17-7-2-3-8-18(17)20-12-16/h2-10,12H,11,13H2,1H3,(H,21,22).
What are the key properties of 2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide?
2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide has a molecular weight of 290.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide is sourced from PubChem (CID 110733803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).