4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine

C18H19N3 — CID 103001025

IUPAC4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine
SMILESCc1cccc(CCNc2ccnc3cc(N)ccc23)c1
InChIInChI=1S/C18H19N3/c1-13-3-2-4-14(11-13)7-9-20-17-8-10-21-18-12-15(19)5-6-16(17)18/h2-6,8,10-12H,7,9,19H2,1H3,(H,20,21)
InChIKeyUJXCASVDUPMVGK-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.78
Rot. Bonds4

About 4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine

4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine (PubChem CID 103001025) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine
PubChem CID103001025
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine
SMILESCc1cccc(CCNc2ccnc3cc(N)ccc23)c1
InChIInChI=1S/C18H19N3/c1-13-3-2-4-14(11-13)7-9-20-17-8-10-21-18-12-15(19)5-6-16(17)18/h2-6,8,10-12H,7,9,19H2,1H3,(H,20,21)
InChIKeyUJXCASVDUPMVGK-UHFFFAOYSA-N
XLogP3.78
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-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

4-N-[2-(3-fluorophenyl)ethyl]quinoline-4,7-diamine
CID 103000463
N-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine
CID 58223366
4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine
CID 103000150
4-[(3-methylphenyl)methylsulfanyl]quinolin-7-amine
CID 103002572
4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine
CID 103001214
4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine
CID 103000600
4-N-but-3-enylquinoline-4,7-diamine
CID 103001772
4-N-[2-[ethyl(methyl)amino]ethyl]quinoline-4,7-diamine
CID 103001063
7-methyl-N-propylquinolin-4-amine
CID 71072403
4-N-(3-butoxypropyl)quinoline-4,7-diamine
CID 103001799
4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine
CID 106750720
4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine
CID 103000338

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine?
The IUPAC name of 4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine (CID 103001025) is 4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine.
What is the SMILES notation for 4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine?
The canonical SMILES for 4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine is Cc1cccc(CCNc2ccnc3cc(N)ccc23)c1.
What is the InChIKey of 4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine?
The InChIKey is UJXCASVDUPMVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-3-2-4-14(11-13)7-9-20-17-8-10-21-18-12-15(19)5-6-16(17)18/h2-6,8,10-12H,7,9,19H2,1H3,(H,20,21).
What are the key properties of 4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine?
4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine has a molecular weight of 277.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine is sourced from PubChem (CID 103001025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).