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

C16H15ClN2S — CID 63541053

IUPAC7-chloro-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
SMILESCC(Cc1cccs1)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H15ClN2S/c1-11(9-13-3-2-8-20-13)19-15-6-7-18-16-10-12(17)4-5-14(15)16/h2-8,10-11H,9H2,1H3,(H,18,19)
InChIKeyLRKDIMZXINVCCU-UHFFFAOYSA-N
MW302.83 g/mol
LogP4.99
Rot. Bonds4

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

7-chloro-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine (PubChem CID 63541053) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 7-chloro-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
PubChem CID63541053
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name7-chloro-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
SMILESCC(Cc1cccs1)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H15ClN2S/c1-11(9-13-3-2-8-20-13)19-15-6-7-18-16-10-12(17)4-5-14(15)16/h2-8,10-11H,9H2,1H3,(H,18,19)
InChIKeyLRKDIMZXINVCCU-UHFFFAOYSA-N
XLogP4.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine
CID 63540112
7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
CID 115637682
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
7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine
CID 133365714
(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461
7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
CID 63613248
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine
CID 83061047
N'-(7-chloroquinolin-4-yl)-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 155513408
O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine
CID 129361753
7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine
CID 113484977
2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
CID 63540902

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine?
The IUPAC name of 7-chloro-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine (CID 63541053) is 7-chloro-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine?
The canonical SMILES for 7-chloro-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine is CC(Cc1cccs1)Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine?
The InChIKey is LRKDIMZXINVCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-11(9-13-3-2-8-20-13)19-15-6-7-18-16-10-12(17)4-5-14(15)16/h2-8,10-11H,9H2,1H3,(H,18,19).
What are the key properties of 7-chloro-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine?
7-chloro-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine has a molecular weight of 302.83 g/mol, XLogP of 4.99, 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-ylpropan-2-yl)quinolin-4-amine is sourced from PubChem (CID 63541053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).