4-N-(2-ethylphenyl)quinoline-4,8-diamine

C17H17N3 — CID 83060869

IUPAC4-N-(2-ethylphenyl)quinoline-4,8-diamine
SMILESCCc1ccccc1Nc1ccnc2c(N)cccc12
InChIInChI=1S/C17H17N3/c1-2-12-6-3-4-9-15(12)20-16-10-11-19-17-13(16)7-5-8-14(17)18/h3-11H,2,18H2,1H3,(H,19,20)
InChIKeyDJFZGTQBLGCERM-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.12
Rot. Bonds3

About 4-N-(2-ethylphenyl)quinoline-4,8-diamine

4-N-(2-ethylphenyl)quinoline-4,8-diamine (PubChem CID 83060869) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-N-(2-ethylphenyl)quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-(2-ethylphenyl)quinoline-4,8-diamine
PubChem CID83060869
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-N-(2-ethylphenyl)quinoline-4,8-diamine
SMILESCCc1ccccc1Nc1ccnc2c(N)cccc12
InChIInChI=1S/C17H17N3/c1-2-12-6-3-4-9-15(12)20-16-10-11-19-17-13(16)7-5-8-14(17)18/h3-11H,2,18H2,1H3,(H,19,20)
InChIKeyDJFZGTQBLGCERM-UHFFFAOYSA-N
XLogP4.12
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N-(2-ethylphenyl)quinoline-4,8-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylphenyl)quinoline-4,8-diamine?
The IUPAC name of 4-N-(2-ethylphenyl)quinoline-4,8-diamine (CID 83060869) is 4-N-(2-ethylphenyl)quinoline-4,8-diamine.
What is the SMILES notation for 4-N-(2-ethylphenyl)quinoline-4,8-diamine?
The canonical SMILES for 4-N-(2-ethylphenyl)quinoline-4,8-diamine is CCc1ccccc1Nc1ccnc2c(N)cccc12.
What is the InChIKey of 4-N-(2-ethylphenyl)quinoline-4,8-diamine?
The InChIKey is DJFZGTQBLGCERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-12-6-3-4-9-15(12)20-16-10-11-19-17-13(16)7-5-8-14(17)18/h3-11H,2,18H2,1H3,(H,19,20).
What are the key properties of 4-N-(2-ethylphenyl)quinoline-4,8-diamine?
4-N-(2-ethylphenyl)quinoline-4,8-diamine has a molecular weight of 263.34 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylphenyl)quinoline-4,8-diamine is sourced from PubChem (CID 83060869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).