2-N,2-N-dibenzylquinoline-2,3-diamine

C23H21N3 — CID 139693174

IUPAC2-N,2-N-dibenzylquinoline-2,3-diamine
SMILESNc1cc2ccccc2nc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H21N3/c24-21-15-20-13-7-8-14-22(20)25-23(21)26(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-15H,16-17,24H2
InChIKeyJXYVLYBAXKZSCG-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.02
Rot. Bonds5

About 2-N,2-N-dibenzylquinoline-2,3-diamine

2-N,2-N-dibenzylquinoline-2,3-diamine (PubChem CID 139693174) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-N,2-N-dibenzylquinoline-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N-dibenzylquinoline-2,3-diamine
PubChem CID139693174
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Name2-N,2-N-dibenzylquinoline-2,3-diamine
SMILESNc1cc2ccccc2nc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H21N3/c24-21-15-20-13-7-8-14-22(20)25-23(21)26(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-15H,16-17,24H2
InChIKeyJXYVLYBAXKZSCG-UHFFFAOYSA-N
XLogP5.02
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N,2-N-dibenzylquinoline-2,3-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

[2-[benzyl(methyl)amino]quinolin-3-yl]methanol
CID 28963473
2-N,2-N-dibenzyl-3-nitroquinoline-2,4-diamine;hydrochloride
CID 140982169
N-[(4-aminophenyl)methyl]-N,3-dimethylquinolin-2-amine
CID 63229274
N'-acridin-1-yl-N'-benzylpentane-1,5-diamine
CID 174887657
2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine
CID 57159810
2-N,2-N-dibenzylbenzene-1,2-diamine
CID 23459358
N,N-dibenzylaniline
CID 139071697
N'-(2-aminoethyl)-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine
CID 63229201
2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol
CID 102757794
2-[[benzyl(methyl)amino]methyl]quinolin-4-amine
CID 115485704
4-N-benzyl-2-methyl-4-N-propylbenzene-1,4-diamine
CID 43587676
2-amino-5-(dibenzylamino)benzoic acid
CID 91288703

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dibenzylquinoline-2,3-diamine?
The IUPAC name of 2-N,2-N-dibenzylquinoline-2,3-diamine (CID 139693174) is 2-N,2-N-dibenzylquinoline-2,3-diamine.
What is the SMILES notation for 2-N,2-N-dibenzylquinoline-2,3-diamine?
The canonical SMILES for 2-N,2-N-dibenzylquinoline-2,3-diamine is Nc1cc2ccccc2nc1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-N,2-N-dibenzylquinoline-2,3-diamine?
The InChIKey is JXYVLYBAXKZSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3/c24-21-15-20-13-7-8-14-22(20)25-23(21)26(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-15H,16-17,24H2.
What are the key properties of 2-N,2-N-dibenzylquinoline-2,3-diamine?
2-N,2-N-dibenzylquinoline-2,3-diamine has a molecular weight of 339.44 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dibenzylquinoline-2,3-diamine is sourced from PubChem (CID 139693174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).