4-methyl-3-quinolin-6-ylaniline

C16H14N2 — CID 81224667

IUPAC4-methyl-3-quinolin-6-ylaniline
SMILESCc1ccc(N)cc1-c1ccc2ncccc2c1
InChIInChI=1S/C16H14N2/c1-11-4-6-14(17)10-15(11)12-5-7-16-13(9-12)3-2-8-18-16/h2-10H,17H2,1H3
InChIKeyQZLUVQPXVQWAGG-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.79
Rot. Bonds1

About 4-methyl-3-quinolin-6-ylaniline

4-methyl-3-quinolin-6-ylaniline (PubChem CID 81224667) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-methyl-3-quinolin-6-ylaniline.

Molecular Properties

Compound Name4-methyl-3-quinolin-6-ylaniline
PubChem CID81224667
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name4-methyl-3-quinolin-6-ylaniline
SMILESCc1ccc(N)cc1-c1ccc2ncccc2c1
InChIInChI=1S/C16H14N2/c1-11-4-6-14(17)10-15(11)12-5-7-16-13(9-12)3-2-8-18-16/h2-10H,17H2,1H3
InChIKeyQZLUVQPXVQWAGG-UHFFFAOYSA-N
XLogP3.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-methyl-3-quinolin-6-ylaniline 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

3-methyl-4-quinolin-7-ylaniline
CID 81224279
2,4-dimethyl-5-quinolin-6-ylbenzenesulfonamide
CID 171909687
azane;5-quinolin-6-yl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine
CID 69028906
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
2-fluoro-6-quinolin-6-ylaniline
CID 107602869
6-(3-methylphenyl)quinoline
CID 4185278
6-quinolin-6-ylpyrazin-2-amine
CID 81222208
6-methylquinoline
CID 7059
2-cyclopropyl-3-methyl-5-quinolin-6-ylimidazol-4-amine
CID 63968686
4-methyl-3-quinolin-7-ylbenzaldehyde
CID 105408212
4-methyl-3-(2-methylpyrimidin-5-yl)aniline
CID 170431309
5-quinolin-6-yl-6-(triazol-2-yl)pyrazin-2-amine
CID 137431097

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-quinolin-6-ylaniline?
The IUPAC name of 4-methyl-3-quinolin-6-ylaniline (CID 81224667) is 4-methyl-3-quinolin-6-ylaniline.
What is the SMILES notation for 4-methyl-3-quinolin-6-ylaniline?
The canonical SMILES for 4-methyl-3-quinolin-6-ylaniline is Cc1ccc(N)cc1-c1ccc2ncccc2c1.
What is the InChIKey of 4-methyl-3-quinolin-6-ylaniline?
The InChIKey is QZLUVQPXVQWAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-11-4-6-14(17)10-15(11)12-5-7-16-13(9-12)3-2-8-18-16/h2-10H,17H2,1H3.
What are the key properties of 4-methyl-3-quinolin-6-ylaniline?
4-methyl-3-quinolin-6-ylaniline has a molecular weight of 234.30 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-quinolin-6-ylaniline is sourced from PubChem (CID 81224667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).