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

C16H22ClN3 — CID 107159058

IUPAC1-N-(7-chloroquinolin-4-yl)-4,4-dimethylpentane-1,2-diamine
SMILESCC(C)(C)CC(N)CNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H22ClN3/c1-16(2,3)9-12(18)10-20-14-6-7-19-15-8-11(17)4-5-13(14)15/h4-8,12H,9-10,18H2,1-3H3,(H,19,20)
InChIKeyRKIHJAGHIHIZGG-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.06
Rot. Bonds4

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

1-N-(7-chloroquinolin-4-yl)-4,4-dimethylpentane-1,2-diamine (PubChem CID 107159058) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 1-N-(7-chloroquinolin-4-yl)-4,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(7-chloroquinolin-4-yl)-4,4-dimethylpentane-1,2-diamine
PubChem CID107159058
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name1-N-(7-chloroquinolin-4-yl)-4,4-dimethylpentane-1,2-diamine
SMILESCC(C)(C)CC(N)CNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H22ClN3/c1-16(2,3)9-12(18)10-20-14-6-7-19-15-8-11(17)4-5-13(14)15/h4-8,12H,9-10,18H2,1-3H3,(H,19,20)
InChIKeyRKIHJAGHIHIZGG-UHFFFAOYSA-N
XLogP4.06
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine
CID 63120842
2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol
CID 63296139
2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid
CID 65223950
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
3-[[(7-chloroquinolin-4-yl)amino]methyl]hexan-1-ol
CID 103705122
7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine
CID 65027745
N-butyl-7-chloroquinolin-4-amine
CID 10037042
3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol
CID 62060056
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid
CID 65224478
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907

Frequently Asked Questions

What is the IUPAC name of 1-N-(7-chloroquinolin-4-yl)-4,4-dimethylpentane-1,2-diamine?
The IUPAC name of 1-N-(7-chloroquinolin-4-yl)-4,4-dimethylpentane-1,2-diamine (CID 107159058) is 1-N-(7-chloroquinolin-4-yl)-4,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(7-chloroquinolin-4-yl)-4,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-(7-chloroquinolin-4-yl)-4,4-dimethylpentane-1,2-diamine is CC(C)(C)CC(N)CNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 1-N-(7-chloroquinolin-4-yl)-4,4-dimethylpentane-1,2-diamine?
The InChIKey is RKIHJAGHIHIZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-16(2,3)9-12(18)10-20-14-6-7-19-15-8-11(17)4-5-13(14)15/h4-8,12H,9-10,18H2,1-3H3,(H,19,20).
What are the key properties of 1-N-(7-chloroquinolin-4-yl)-4,4-dimethylpentane-1,2-diamine?
1-N-(7-chloroquinolin-4-yl)-4,4-dimethylpentane-1,2-diamine has a molecular weight of 291.83 g/mol, XLogP of 4.06, 4 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)-4,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 107159058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).