bis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride

C48H52Cl2N6 — CID 157354468

IUPACbis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride
SMILESCN(C)CCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12.CN(C)CCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12.Cl.Cl
InChIInChI=1S/2C24H25N3.2ClH/c2*1-27(2)15-7-14-25-24-17-23(26-22-11-6-5-10-21(22)24)20-13-12-18-8-3-4-9-19(18)16-20;;/h2*3-6,8-13,16-17H,7,14-15H2,1-2H3,(H,25,26);2*1H
InChIKeyOKOCWLBONURXDS-UHFFFAOYSA-N
MW783.89 g/mol
LogP11.68
Rot. Bonds12

About bis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride

bis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride (PubChem CID 157354468) has the molecular formula C48H52Cl2N6 and a molecular weight of 783.89 g/mol. Its IUPAC name is bis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride.

Molecular Properties

Compound Namebis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride
PubChem CID157354468
Molecular FormulaC48H52Cl2N6
Molecular Weight783.89 g/mol
Exact Mass782.36
IUPAC Namebis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride
SMILESCN(C)CCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12.CN(C)CCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12.Cl.Cl
InChIInChI=1S/2C24H25N3.2ClH/c2*1-27(2)15-7-14-25-24-17-23(26-22-11-6-5-10-21(22)24)20-13-12-18-8-3-4-9-19(18)16-20;;/h2*3-6,8-13,16-17H,7,14-15H2,1-2H3,(H,25,26);2*1H
InChIKeyOKOCWLBONURXDS-UHFFFAOYSA-N
XLogP11.68
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.89
LogP ≤ 511.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride 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

N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)butane-1,4-diamine
CID 10451757
N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)ethane-1,2-diamine;hydrate
CID 51058348
N-methyl-2-naphthalen-2-ylquinolin-4-amine
CID 142840384
N,N'-bis(2-phenylquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531954
4-[4-[4-[3-(dimethylamino)propylamino]quinolin-2-yl]phenyl]-1-methylpiperazin-2-one;hydrochloride
CID 163296830
N-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide
CID 175783587
2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride
CID 18432992
N-[3-[(2-naphthalen-2-ylquinolin-4-yl)amino]propyl]-N'-[3-[4-[3-[[4-[3-[(2-naphthalen-2-ylquinolin-4-yl)amino]propylamino]-4-oxobutanoyl]amino]propyl]piperazin-1-yl]propyl]butanediamide
CID 18403985
N-[2-(1-benzofuran-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 91938175
1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine
CID 90717674
tert-butyl 4-[5-[4-[3-(dimethylamino)propylamino]quinolin-2-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 177172655
7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride
CID 175783539

Frequently Asked Questions

What is the IUPAC name of bis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride?
The IUPAC name of bis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride (CID 157354468) is bis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride.
What is the SMILES notation for bis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride?
The canonical SMILES for bis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride is CN(C)CCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12.CN(C)CCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12.Cl.Cl.
What is the InChIKey of bis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride?
The InChIKey is OKOCWLBONURXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H25N3.2ClH/c2*1-27(2)15-7-14-25-24-17-23(26-22-11-6-5-10-21(22)24)20-13-12-18-8-3-4-9-19(18)16-20;;/h2*3-6,8-13,16-17H,7,14-15H2,1-2H3,(H,25,26);2*1H.
What are the key properties of bis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride?
bis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride has a molecular weight of 783.89 g/mol, XLogP of 11.68, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride is sourced from PubChem (CID 157354468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).