3-(2-methylquinolin-8-yl)iminoisoindol-1-amine

C18H14N4 — CID 19154475

IUPAC3-(2-methylquinolin-8-yl)iminoisoindol-1-amine
SMILESCc1ccc2cccc(/N=C3\N=C(N)c4ccccc43)c2n1
InChIInChI=1S/C18H14N4/c1-11-9-10-12-5-4-8-15(16(12)20-11)21-18-14-7-3-2-6-13(14)17(19)22-18/h2-10H,1H3,(H2,19,21,22)
InChIKeyMOPIVTQXRDZSOE-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.34
Rot. Bonds1

About 3-(2-methylquinolin-8-yl)iminoisoindol-1-amine

3-(2-methylquinolin-8-yl)iminoisoindol-1-amine (PubChem CID 19154475) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-(2-methylquinolin-8-yl)iminoisoindol-1-amine.

Molecular Properties

Compound Name3-(2-methylquinolin-8-yl)iminoisoindol-1-amine
PubChem CID19154475
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name3-(2-methylquinolin-8-yl)iminoisoindol-1-amine
SMILESCc1ccc2cccc(/N=C3\N=C(N)c4ccccc43)c2n1
InChIInChI=1S/C18H14N4/c1-11-9-10-12-5-4-8-15(16(12)20-11)21-18-14-7-3-2-6-13(14)17(19)22-18/h2-10H,1H3,(H2,19,21,22)
InChIKeyMOPIVTQXRDZSOE-UHFFFAOYSA-N
XLogP3.34
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(2-methylquinolin-8-yl)iminoisoindol-1-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 3-(2-methylquinolin-8-yl)iminoisoindol-1-amine?
The IUPAC name of 3-(2-methylquinolin-8-yl)iminoisoindol-1-amine (CID 19154475) is 3-(2-methylquinolin-8-yl)iminoisoindol-1-amine.
What is the SMILES notation for 3-(2-methylquinolin-8-yl)iminoisoindol-1-amine?
The canonical SMILES for 3-(2-methylquinolin-8-yl)iminoisoindol-1-amine is Cc1ccc2cccc(/N=C3\N=C(N)c4ccccc43)c2n1.
What is the InChIKey of 3-(2-methylquinolin-8-yl)iminoisoindol-1-amine?
The InChIKey is MOPIVTQXRDZSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-11-9-10-12-5-4-8-15(16(12)20-11)21-18-14-7-3-2-6-13(14)17(19)22-18/h2-10H,1H3,(H2,19,21,22).
What are the key properties of 3-(2-methylquinolin-8-yl)iminoisoindol-1-amine?
3-(2-methylquinolin-8-yl)iminoisoindol-1-amine has a molecular weight of 286.34 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylquinolin-8-yl)iminoisoindol-1-amine is sourced from PubChem (CID 19154475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).