N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)butane-1,4-diamine

C25H27N3 — CID 10451757

IUPACN',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)butane-1,4-diamine
SMILESCN(C)CCCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12
InChIInChI=1S/C25H27N3/c1-28(2)16-8-7-15-26-25-18-24(27-23-12-6-5-11-22(23)25)21-14-13-19-9-3-4-10-20(19)17-21/h3-6,9-14,17-18H,7-8,15-16H2,1-2H3,(H,26,27)
InChIKeyZLYYBETWBFDGFY-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.81
Rot. Bonds7

About N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)butane-1,4-diamine

N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)butane-1,4-diamine (PubChem CID 10451757) has the molecular formula C25H27N3 and a molecular weight of 369.51 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)butane-1,4-diamine
PubChem CID10451757
Molecular FormulaC25H27N3
Molecular Weight369.51 g/mol
Exact Mass369.22
IUPAC NameN',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)butane-1,4-diamine
SMILESCN(C)CCCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12
InChIInChI=1S/C25H27N3/c1-28(2)16-8-7-15-26-25-18-24(27-23-12-6-5-11-22(23)25)21-14-13-19-9-3-4-10-20(19)17-21/h3-6,9-14,17-18H,7-8,15-16H2,1-2H3,(H,26,27)
InChIKeyZLYYBETWBFDGFY-UHFFFAOYSA-N
XLogP5.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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)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-[(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
N-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide
CID 175783587
4-(azetidin-3-yl)-3-N-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 172815889
N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 3420186
tert-butyl 4-[5-[4-[3-(dimethylamino)propylamino]quinolin-2-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 177172655
1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine
CID 90717674

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)butane-1,4-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)butane-1,4-diamine (CID 10451757) is N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)butane-1,4-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)butane-1,4-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)butane-1,4-diamine is CN(C)CCCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12.
What is the InChIKey of N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)butane-1,4-diamine?
The InChIKey is ZLYYBETWBFDGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3/c1-28(2)16-8-7-15-26-25-18-24(27-23-12-6-5-11-22(23)25)21-14-13-19-9-3-4-10-20(19)17-21/h3-6,9-14,17-18H,7-8,15-16H2,1-2H3,(H,26,27).
What are the key properties of N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)butane-1,4-diamine?
N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)butane-1,4-diamine has a molecular weight of 369.51 g/mol, XLogP of 5.81, 7 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)butane-1,4-diamine is sourced from PubChem (CID 10451757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).