N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)ethane-1,2-diamine;hydrate

C23H25N3O — CID 51058348

IUPACN',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)ethane-1,2-diamine;hydrate
SMILESCN(C)CCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12.O
InChIInChI=1S/C23H23N3.H2O/c1-26(2)14-13-24-23-16-22(25-21-10-6-5-9-20(21)23)19-12-11-17-7-3-4-8-18(17)15-19;/h3-12,15-16H,13-14H2,1-2H3,(H,24,25);1H2
InChIKeyVYEAFWLYISIGLJ-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.20
Rot. Bonds5

About N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)ethane-1,2-diamine;hydrate

N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)ethane-1,2-diamine;hydrate (PubChem CID 51058348) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)ethane-1,2-diamine;hydrate.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)ethane-1,2-diamine;hydrate
PubChem CID51058348
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)ethane-1,2-diamine;hydrate
SMILESCN(C)CCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12.O
InChIInChI=1S/C23H23N3.H2O/c1-26(2)14-13-24-23-16-22(25-21-10-6-5-9-20(21)23)19-12-11-17-7-3-4-8-18(17)15-19;/h3-12,15-16H,13-14H2,1-2H3,(H,24,25);1H2
InChIKeyVYEAFWLYISIGLJ-UHFFFAOYSA-N
XLogP4.20
TPSA59.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)ethane-1,2-diamine;hydrate 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

bis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride
CID 157354468
N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)butane-1,4-diamine
CID 10451757
N-methyl-2-naphthalen-2-ylquinolin-4-amine
CID 142840384
N-[2-(1-benzofuran-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 91938175
N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 3420186
N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine;dihydrobromide
CID 45046156
N,N'-bis(2-phenylquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531954
N',N'-diethyl-N-(2-pyridin-3-ylquinolin-4-yl)ethane-1,2-diamine
CID 91938184
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-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide
CID 175783587
3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride
CID 90459061

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)ethane-1,2-diamine;hydrate?
The IUPAC name of N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)ethane-1,2-diamine;hydrate (CID 51058348) is N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)ethane-1,2-diamine;hydrate.
What is the SMILES notation for N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)ethane-1,2-diamine;hydrate?
The canonical SMILES for N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)ethane-1,2-diamine;hydrate is CN(C)CCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12.O.
What is the InChIKey of N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)ethane-1,2-diamine;hydrate?
The InChIKey is VYEAFWLYISIGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3.H2O/c1-26(2)14-13-24-23-16-22(25-21-10-6-5-9-20(21)23)19-12-11-17-7-3-4-8-18(17)15-19;/h3-12,15-16H,13-14H2,1-2H3,(H,24,25);1H2.
What are the key properties of N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)ethane-1,2-diamine;hydrate?
N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)ethane-1,2-diamine;hydrate has a molecular weight of 359.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)ethane-1,2-diamine;hydrate is sourced from PubChem (CID 51058348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).