1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride

C20H22Cl5N3 — CID 70204147

IUPAC1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride
SMILESCC(C)(CNc1ccnc2cc(Cl)ccc12)NCc1cc(Cl)cc(Cl)c1.Cl.Cl
InChIInChI=1S/C20H20Cl3N3.2ClH/c1-20(2,26-11-13-7-15(22)9-16(23)8-13)12-25-18-5-6-24-19-10-14(21)3-4-17(18)19;;/h3-10,26H,11-12H2,1-2H3,(H,24,25);2*1H
InChIKeyDZEPGHVVENMACF-UHFFFAOYSA-N
MW481.68 g/mol
LogP7.02
Rot. Bonds6

About 1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride

1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride (PubChem CID 70204147) has the molecular formula C20H22Cl5N3 and a molecular weight of 481.68 g/mol. Its IUPAC name is 1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride
PubChem CID70204147
Molecular FormulaC20H22Cl5N3
Molecular Weight481.68 g/mol
Exact Mass479.03
IUPAC Name1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride
SMILESCC(C)(CNc1ccnc2cc(Cl)ccc12)NCc1cc(Cl)cc(Cl)c1.Cl.Cl
InChIInChI=1S/C20H20Cl3N3.2ClH/c1-20(2,26-11-13-7-15(22)9-16(23)8-13)12-25-18-5-6-24-19-10-14(21)3-4-17(18)19;;/h3-10,26H,11-12H2,1-2H3,(H,24,25);2*1H
InChIKeyDZEPGHVVENMACF-UHFFFAOYSA-N
XLogP7.02
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.68
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride with MolForge

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Related Compounds

2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine
CID 11681637
N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859181
7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine
CID 104624105
3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol
CID 62060056
3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307879
N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 11644996
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine
CID 65027745
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430042
N-butyl-7-chloroquinolin-4-amine
CID 10037042
CID 10433026
CID 10433026

Frequently Asked Questions

What is the IUPAC name of 1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride?
The IUPAC name of 1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride (CID 70204147) is 1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride.
What is the SMILES notation for 1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride?
The canonical SMILES for 1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride is CC(C)(CNc1ccnc2cc(Cl)ccc12)NCc1cc(Cl)cc(Cl)c1.Cl.Cl.
What is the InChIKey of 1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride?
The InChIKey is DZEPGHVVENMACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl3N3.2ClH/c1-20(2,26-11-13-7-15(22)9-16(23)8-13)12-25-18-5-6-24-19-10-14(21)3-4-17(18)19;;/h3-10,26H,11-12H2,1-2H3,(H,24,25);2*1H.
What are the key properties of 1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride?
1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride has a molecular weight of 481.68 g/mol, XLogP of 7.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 70204147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).