7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine

C13H15ClN2S — CID 115637682

IUPAC7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
SMILESCSCC(C)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H15ClN2S/c1-9(8-17-2)16-12-5-6-15-13-7-10(14)3-4-11(12)13/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKeyVLGGJUXOIYZVFP-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.05
Rot. Bonds4

About 7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine

7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine (PubChem CID 115637682) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
PubChem CID115637682
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
SMILESCSCC(C)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H15ClN2S/c1-9(8-17-2)16-12-5-6-15-13-7-10(14)3-4-11(12)13/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKeyVLGGJUXOIYZVFP-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-4-bromobutan-2-yl]-7-chloroquinolin-4-amine
CID 129361750
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461
O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine
CID 129361753
3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118
7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine
CID 133365714
7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine
CID 113484977
7-chloro-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
CID 63541053
(2R)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590558
(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590559
7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine
CID 7830951
2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol
CID 114094467

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine?
The IUPAC name of 7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine (CID 115637682) is 7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine?
The canonical SMILES for 7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine is CSCC(C)Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine?
The InChIKey is VLGGJUXOIYZVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-9(8-17-2)16-12-5-6-15-13-7-10(14)3-4-11(12)13/h3-7,9H,8H2,1-2H3,(H,15,16).
What are the key properties of 7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine?
7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine has a molecular weight of 266.80 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine is sourced from PubChem (CID 115637682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).