7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine

C16H15ClN2S — CID 63540112

IUPAC7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine
SMILESCCC(Nc1ccnc2cc(Cl)ccc12)c1cccs1
InChIInChI=1S/C16H15ClN2S/c1-2-13(16-4-3-9-20-16)19-14-7-8-18-15-10-11(17)5-6-12(14)15/h3-10,13H,2H2,1H3,(H,18,19)
InChIKeyISBYHBQSXYQKKI-UHFFFAOYSA-N
MW302.83 g/mol
LogP5.51
Rot. Bonds4

About 7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine

7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine (PubChem CID 63540112) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine
PubChem CID63540112
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine
SMILESCCC(Nc1ccnc2cc(Cl)ccc12)c1cccs1
InChIInChI=1S/C16H15ClN2S/c1-2-13(16-4-3-9-20-16)19-14-7-8-18-15-10-11(17)5-6-12(14)15/h3-10,13H,2H2,1H3,(H,18,19)
InChIKeyISBYHBQSXYQKKI-UHFFFAOYSA-N
XLogP5.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.83
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
CID 63541053
2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline
CID 81264228
(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-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
CID 63613248
6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine
CID 79525588
7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
CID 115637682
7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine
CID 113484977
(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461
N-[(2S)-4-bromobutan-2-yl]-7-chloroquinolin-4-amine
CID 129361750
7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine
CID 7830951

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine?
The IUPAC name of 7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine (CID 63540112) is 7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine?
The canonical SMILES for 7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine is CCC(Nc1ccnc2cc(Cl)ccc12)c1cccs1.
What is the InChIKey of 7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine?
The InChIKey is ISBYHBQSXYQKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-2-13(16-4-3-9-20-16)19-14-7-8-18-15-10-11(17)5-6-12(14)15/h3-10,13H,2H2,1H3,(H,18,19).
What are the key properties of 7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine?
7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine has a molecular weight of 302.83 g/mol, XLogP of 5.51, 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-thiophen-2-ylpropyl)quinolin-4-amine is sourced from PubChem (CID 63540112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).