N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine

C16H22ClN3 — CID 11644996

IUPACN-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H22ClN3/c1-16(2,11-20(3)4)10-19-14-7-8-18-15-9-12(17)5-6-13(14)15/h5-9H,10-11H2,1-4H3,(H,18,19)
InChIKeyRVTYSDFUAHUJNR-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.89
Rot. Bonds5

About N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine

N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 11644996) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID11644996
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC NameN-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H22ClN3/c1-16(2,11-20(3)4)10-19-14-7-8-18-15-9-12(17)5-6-13(14)15/h5-9H,10-11H2,1-4H3,(H,18,19)
InChIKeyRVTYSDFUAHUJNR-UHFFFAOYSA-N
XLogP3.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859181
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
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
2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine
CID 11681637
1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride
CID 70204147
7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine
CID 65027745
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641

Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine (CID 11644996) is N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is RVTYSDFUAHUJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-16(2,11-20(3)4)10-19-14-7-8-18-15-9-12(17)5-6-13(14)15/h5-9H,10-11H2,1-4H3,(H,18,19).
What are the key properties of N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 291.83 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 11644996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).