[4-(3,3-diphenylprop-2-enylideneamino)cinnolin-3-yl]methanamine

C24H20N4 — CID 6323416

IUPAC[4-(3,3-diphenylprop-2-enylideneamino)cinnolin-3-yl]methanamine
SMILESNCc1nnc2ccccc2c1/N=C/C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20N4/c25-17-23-24(21-13-7-8-14-22(21)27-28-23)26-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16H,17,25H2/b26-16+
InChIKeyCUWRVIIPSSUUDJ-WGOQTCKBSA-N
MW364.45 g/mol
LogP4.92
Rot. Bonds5

About [4-(3,3-diphenylprop-2-enylideneamino)cinnolin-3-yl]methanamine

[4-(3,3-diphenylprop-2-enylideneamino)cinnolin-3-yl]methanamine (PubChem CID 6323416) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is [4-(3,3-diphenylprop-2-enylideneamino)cinnolin-3-yl]methanamine.

Molecular Properties

Compound Name[4-(3,3-diphenylprop-2-enylideneamino)cinnolin-3-yl]methanamine
PubChem CID6323416
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC Name[4-(3,3-diphenylprop-2-enylideneamino)cinnolin-3-yl]methanamine
SMILESNCc1nnc2ccccc2c1/N=C/C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20N4/c25-17-23-24(21-13-7-8-14-22(21)27-28-23)26-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16H,17,25H2/b26-16+
InChIKeyCUWRVIIPSSUUDJ-WGOQTCKBSA-N
XLogP4.92
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(3,3-diphenylprop-2-enylideneamino)cinnolin-3-yl]methanamine 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-(3,3-diphenylprop-2-enylideneamino)cinnolin-3-yl]methanamine?
The IUPAC name of [4-(3,3-diphenylprop-2-enylideneamino)cinnolin-3-yl]methanamine (CID 6323416) is [4-(3,3-diphenylprop-2-enylideneamino)cinnolin-3-yl]methanamine.
What is the SMILES notation for [4-(3,3-diphenylprop-2-enylideneamino)cinnolin-3-yl]methanamine?
The canonical SMILES for [4-(3,3-diphenylprop-2-enylideneamino)cinnolin-3-yl]methanamine is NCc1nnc2ccccc2c1/N=C/C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of [4-(3,3-diphenylprop-2-enylideneamino)cinnolin-3-yl]methanamine?
The InChIKey is CUWRVIIPSSUUDJ-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H20N4/c25-17-23-24(21-13-7-8-14-22(21)27-28-23)26-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16H,17,25H2/b26-16+.
What are the key properties of [4-(3,3-diphenylprop-2-enylideneamino)cinnolin-3-yl]methanamine?
[4-(3,3-diphenylprop-2-enylideneamino)cinnolin-3-yl]methanamine has a molecular weight of 364.45 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3-diphenylprop-2-enylideneamino)cinnolin-3-yl]methanamine is sourced from PubChem (CID 6323416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).