5-N-(4-methylphenyl)quinoline-5,8-diamine

C16H15N3 — CID 43449531

IUPAC5-N-(4-methylphenyl)quinoline-5,8-diamine
SMILESCc1ccc(Nc2ccc(N)c3ncccc23)cc1
InChIInChI=1S/C16H15N3/c1-11-4-6-12(7-5-11)19-15-9-8-14(17)16-13(15)3-2-10-18-16/h2-10,19H,17H2,1H3
InChIKeyFQSXTXCGOCUNTO-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.87
Rot. Bonds2

About 5-N-(4-methylphenyl)quinoline-5,8-diamine

5-N-(4-methylphenyl)quinoline-5,8-diamine (PubChem CID 43449531) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-N-(4-methylphenyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-(4-methylphenyl)quinoline-5,8-diamine
PubChem CID43449531
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name5-N-(4-methylphenyl)quinoline-5,8-diamine
SMILESCc1ccc(Nc2ccc(N)c3ncccc23)cc1
InChIInChI=1S/C16H15N3/c1-11-4-6-12(7-5-11)19-15-9-8-14(17)16-13(15)3-2-10-18-16/h2-10,19H,17H2,1H3
InChIKeyFQSXTXCGOCUNTO-UHFFFAOYSA-N
XLogP3.87
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-N-(4-methylphenyl)quinoline-5,8-diamine 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

CID 61670
CID 61670
CID 11105
CID 11105
CID 2723800
CID 2723800
CID 11375
CID 11375
CID 11911
CID 11911
CID 11373
CID 11373
CID 11359
CID 11359
CID 68476
CID 68476
CID 1534386
CID 1534386
CID 242567
CID 242567
CID 11377
CID 11377
CID 4913356
CID 4913356

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-methylphenyl)quinoline-5,8-diamine?
The IUPAC name of 5-N-(4-methylphenyl)quinoline-5,8-diamine (CID 43449531) is 5-N-(4-methylphenyl)quinoline-5,8-diamine.
What is the SMILES notation for 5-N-(4-methylphenyl)quinoline-5,8-diamine?
The canonical SMILES for 5-N-(4-methylphenyl)quinoline-5,8-diamine is Cc1ccc(Nc2ccc(N)c3ncccc23)cc1.
What is the InChIKey of 5-N-(4-methylphenyl)quinoline-5,8-diamine?
The InChIKey is FQSXTXCGOCUNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-11-4-6-12(7-5-11)19-15-9-8-14(17)16-13(15)3-2-10-18-16/h2-10,19H,17H2,1H3.
What are the key properties of 5-N-(4-methylphenyl)quinoline-5,8-diamine?
5-N-(4-methylphenyl)quinoline-5,8-diamine has a molecular weight of 249.32 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-methylphenyl)quinoline-5,8-diamine is sourced from PubChem (CID 43449531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).