2-(4-amino-3-methylphenyl)quinolin-6-amine

C16H15N3 — CID 121321855

IUPAC2-(4-amino-3-methylphenyl)quinolin-6-amine
SMILESCc1cc(-c2ccc3cc(N)ccc3n2)ccc1N
InChIInChI=1S/C16H15N3/c1-10-8-11(2-5-14(10)18)15-6-3-12-9-13(17)4-7-16(12)19-15/h2-9H,17-18H2,1H3
InChIKeyNYCQUTPHYKGFGS-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.37
Rot. Bonds1

About 2-(4-amino-3-methylphenyl)quinolin-6-amine

2-(4-amino-3-methylphenyl)quinolin-6-amine (PubChem CID 121321855) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenyl)quinolin-6-amine.

Molecular Properties

Compound Name2-(4-amino-3-methylphenyl)quinolin-6-amine
PubChem CID121321855
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-(4-amino-3-methylphenyl)quinolin-6-amine
SMILESCc1cc(-c2ccc3cc(N)ccc3n2)ccc1N
InChIInChI=1S/C16H15N3/c1-10-8-11(2-5-14(10)18)15-6-3-12-9-13(17)4-7-16(12)19-15/h2-9H,17-18H2,1H3
InChIKeyNYCQUTPHYKGFGS-UHFFFAOYSA-N
XLogP3.37
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-amino-3-methylphenyl)quinolin-6-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenyl)quinolin-6-amine?
The IUPAC name of 2-(4-amino-3-methylphenyl)quinolin-6-amine (CID 121321855) is 2-(4-amino-3-methylphenyl)quinolin-6-amine.
What is the SMILES notation for 2-(4-amino-3-methylphenyl)quinolin-6-amine?
The canonical SMILES for 2-(4-amino-3-methylphenyl)quinolin-6-amine is Cc1cc(-c2ccc3cc(N)ccc3n2)ccc1N.
What is the InChIKey of 2-(4-amino-3-methylphenyl)quinolin-6-amine?
The InChIKey is NYCQUTPHYKGFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-10-8-11(2-5-14(10)18)15-6-3-12-9-13(17)4-7-16(12)19-15/h2-9H,17-18H2,1H3.
What are the key properties of 2-(4-amino-3-methylphenyl)quinolin-6-amine?
2-(4-amino-3-methylphenyl)quinolin-6-amine has a molecular weight of 249.32 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylphenyl)quinolin-6-amine is sourced from PubChem (CID 121321855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).