2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine

C20H22ClN3 — CID 11681637

IUPAC2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine
SMILESCC(C)(CNc1ccnc2cc(Cl)ccc12)NCc1ccccc1
InChIInChI=1S/C20H22ClN3/c1-20(2,24-13-15-6-4-3-5-7-15)14-23-18-10-11-22-19-12-16(21)8-9-17(18)19/h3-12,24H,13-14H2,1-2H3,(H,22,23)
InChIKeyYJHLLTINLDFUJG-UHFFFAOYSA-N
MW339.87 g/mol
LogP4.87
Rot. Bonds6

About 2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine

2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine (PubChem CID 11681637) has the molecular formula C20H22ClN3 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine
PubChem CID11681637
Molecular FormulaC20H22ClN3
Molecular Weight339.87 g/mol
Exact Mass339.15
IUPAC Name2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine
SMILESCC(C)(CNc1ccnc2cc(Cl)ccc12)NCc1ccccc1
InChIInChI=1S/C20H22ClN3/c1-20(2,24-13-15-6-4-3-5-7-15)14-23-18-10-11-22-19-12-16(21)8-9-17(18)19/h3-12,24H,13-14H2,1-2H3,(H,22,23)
InChIKeyYJHLLTINLDFUJG-UHFFFAOYSA-N
XLogP4.87
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride
CID 70204147
N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859181
3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307879
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
N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine
CID 44819633
7-chloro-N-[[4-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine
CID 68618100
N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 11644996
2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430042
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
trans-(1S,2S)-1-N-benzyl-2-N-(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine
CID 11660608
7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine
CID 65027745

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine (CID 11681637) is 2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine is CC(C)(CNc1ccnc2cc(Cl)ccc12)NCc1ccccc1.
What is the InChIKey of 2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine?
The InChIKey is YJHLLTINLDFUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3/c1-20(2,24-13-15-6-4-3-5-7-15)14-23-18-10-11-22-19-12-16(21)8-9-17(18)19/h3-12,24H,13-14H2,1-2H3,(H,22,23).
What are the key properties of 2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine?
2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine has a molecular weight of 339.87 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 11681637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).