N-(benzhydrylideneamino)-1-methylisoquinolin-4-amine

C23H19N3 — CID 134610362

IUPACN-(benzhydrylideneamino)-1-methylisoquinolin-4-amine
SMILESCc1ncc(NN=C(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C23H19N3/c1-17-20-14-8-9-15-21(20)22(16-24-17)25-26-23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-16,25H,1H3
InChIKeyIEMMAIZWADSBSF-UHFFFAOYSA-N
MW337.43 g/mol
LogP5.41
Rot. Bonds4

About N-(benzhydrylideneamino)-1-methylisoquinolin-4-amine

N-(benzhydrylideneamino)-1-methylisoquinolin-4-amine (PubChem CID 134610362) has the molecular formula C23H19N3 and a molecular weight of 337.43 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-1-methylisoquinolin-4-amine.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-1-methylisoquinolin-4-amine
PubChem CID134610362
Molecular FormulaC23H19N3
Molecular Weight337.43 g/mol
Exact Mass337.16
IUPAC NameN-(benzhydrylideneamino)-1-methylisoquinolin-4-amine
SMILESCc1ncc(NN=C(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C23H19N3/c1-17-20-14-8-9-15-21(20)22(16-24-17)25-26-23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-16,25H,1H3
InChIKeyIEMMAIZWADSBSF-UHFFFAOYSA-N
XLogP5.41
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.43
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(benzhydrylideneamino)-1-methylisoquinolin-4-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 N-(benzhydrylideneamino)-1-methylisoquinolin-4-amine?
The IUPAC name of N-(benzhydrylideneamino)-1-methylisoquinolin-4-amine (CID 134610362) is N-(benzhydrylideneamino)-1-methylisoquinolin-4-amine.
What is the SMILES notation for N-(benzhydrylideneamino)-1-methylisoquinolin-4-amine?
The canonical SMILES for N-(benzhydrylideneamino)-1-methylisoquinolin-4-amine is Cc1ncc(NN=C(c2ccccc2)c2ccccc2)c2ccccc12.
What is the InChIKey of N-(benzhydrylideneamino)-1-methylisoquinolin-4-amine?
The InChIKey is IEMMAIZWADSBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3/c1-17-20-14-8-9-15-21(20)22(16-24-17)25-26-23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-16,25H,1H3.
What are the key properties of N-(benzhydrylideneamino)-1-methylisoquinolin-4-amine?
N-(benzhydrylideneamino)-1-methylisoquinolin-4-amine has a molecular weight of 337.43 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-1-methylisoquinolin-4-amine is sourced from PubChem (CID 134610362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).