N,N,N'-trimethyl-N'-(4-phenylquinolin-2-yl)propane-1,3-diamine;hydrate;hydrochloride

C21H28ClN3O — CID 24845821

IUPACN,N,N'-trimethyl-N'-(4-phenylquinolin-2-yl)propane-1,3-diamine;hydrate;hydrochloride
SMILESCN(C)CCCN(C)c1cc(-c2ccccc2)c2ccccc2n1.Cl.O
InChIInChI=1S/C21H25N3.ClH.H2O/c1-23(2)14-9-15-24(3)21-16-19(17-10-5-4-6-11-17)18-12-7-8-13-20(18)22-21;;/h4-8,10-13,16H,9,14-15H2,1-3H3;1H;1H2
InChIKeySDKIAXKEHLNJEN-UHFFFAOYSA-N
MW373.93 g/mol
LogP3.89
Rot. Bonds6

About N,N,N'-trimethyl-N'-(4-phenylquinolin-2-yl)propane-1,3-diamine;hydrate;hydrochloride

N,N,N'-trimethyl-N'-(4-phenylquinolin-2-yl)propane-1,3-diamine;hydrate;hydrochloride (PubChem CID 24845821) has the molecular formula C21H28ClN3O and a molecular weight of 373.93 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(4-phenylquinolin-2-yl)propane-1,3-diamine;hydrate;hydrochloride.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(4-phenylquinolin-2-yl)propane-1,3-diamine;hydrate;hydrochloride
PubChem CID24845821
Molecular FormulaC21H28ClN3O
Molecular Weight373.93 g/mol
Exact Mass373.19
IUPAC NameN,N,N'-trimethyl-N'-(4-phenylquinolin-2-yl)propane-1,3-diamine;hydrate;hydrochloride
SMILESCN(C)CCCN(C)c1cc(-c2ccccc2)c2ccccc2n1.Cl.O
InChIInChI=1S/C21H25N3.ClH.H2O/c1-23(2)14-9-15-24(3)21-16-19(17-10-5-4-6-11-17)18-12-7-8-13-20(18)22-21;;/h4-8,10-13,16H,9,14-15H2,1-3H3;1H;1H2
InChIKeySDKIAXKEHLNJEN-UHFFFAOYSA-N
XLogP3.89
TPSA50.87 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N,N'-trimethyl-N'-(4-phenylquinolin-2-yl)propane-1,3-diamine;hydrate;hydrochloride 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,N,N'-trimethyl-N'-(4-phenylquinolin-2-yl)propane-1,3-diamine;hydrate;hydrochloride?
The IUPAC name of N,N,N'-trimethyl-N'-(4-phenylquinolin-2-yl)propane-1,3-diamine;hydrate;hydrochloride (CID 24845821) is N,N,N'-trimethyl-N'-(4-phenylquinolin-2-yl)propane-1,3-diamine;hydrate;hydrochloride.
What is the SMILES notation for N,N,N'-trimethyl-N'-(4-phenylquinolin-2-yl)propane-1,3-diamine;hydrate;hydrochloride?
The canonical SMILES for N,N,N'-trimethyl-N'-(4-phenylquinolin-2-yl)propane-1,3-diamine;hydrate;hydrochloride is CN(C)CCCN(C)c1cc(-c2ccccc2)c2ccccc2n1.Cl.O.
What is the InChIKey of N,N,N'-trimethyl-N'-(4-phenylquinolin-2-yl)propane-1,3-diamine;hydrate;hydrochloride?
The InChIKey is SDKIAXKEHLNJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3.ClH.H2O/c1-23(2)14-9-15-24(3)21-16-19(17-10-5-4-6-11-17)18-12-7-8-13-20(18)22-21;;/h4-8,10-13,16H,9,14-15H2,1-3H3;1H;1H2.
What are the key properties of N,N,N'-trimethyl-N'-(4-phenylquinolin-2-yl)propane-1,3-diamine;hydrate;hydrochloride?
N,N,N'-trimethyl-N'-(4-phenylquinolin-2-yl)propane-1,3-diamine;hydrate;hydrochloride has a molecular weight of 373.93 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(4-phenylquinolin-2-yl)propane-1,3-diamine;hydrate;hydrochloride is sourced from PubChem (CID 24845821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).