7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine

C16H21ClN2O — CID 104624105

IUPAC7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine
SMILESCOCCC(C)(C)CNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H21ClN2O/c1-16(2,7-9-20-3)11-19-14-6-8-18-15-10-12(17)4-5-13(14)15/h4-6,8,10H,7,9,11H2,1-3H3,(H,18,19)
InChIKeyTXHGVUHYFIIASY-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.36
Rot. Bonds6

About 7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine

7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine (PubChem CID 104624105) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine
PubChem CID104624105
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine
SMILESCOCCC(C)(C)CNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H21ClN2O/c1-16(2,7-9-20-3)11-19-14-6-8-18-15-10-12(17)4-5-13(14)15/h4-6,8,10H,7,9,11H2,1-3H3,(H,18,19)
InChIKeyTXHGVUHYFIIASY-UHFFFAOYSA-N
XLogP4.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 11644996
3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol
CID 62060056
3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307879
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
N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859181
2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol
CID 114094467
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
7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine
CID 65027745
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N-(2-butoxyethyl)-7-chloroquinolin-4-amine
CID 61175681

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine?
The IUPAC name of 7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine (CID 104624105) is 7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine?
The canonical SMILES for 7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine is COCCC(C)(C)CNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine?
The InChIKey is TXHGVUHYFIIASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-16(2,7-9-20-3)11-19-14-6-8-18-15-10-12(17)4-5-13(14)15/h4-6,8,10H,7,9,11H2,1-3H3,(H,18,19).
What are the key properties of 7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine?
7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine has a molecular weight of 292.81 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine is sourced from PubChem (CID 104624105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).