5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine

C15H13ClN2S — CID 54862255

IUPAC5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine
SMILESCC(Nc1ccc(Cl)c2cccnc12)c1cccs1
InChIInChI=1S/C15H13ClN2S/c1-10(14-5-3-9-19-14)18-13-7-6-12(16)11-4-2-8-17-15(11)13/h2-10,18H,1H3
InChIKeyYLEQKLPBQDYFJS-UHFFFAOYSA-N
MW288.80 g/mol
LogP5.12
Rot. Bonds3

About 5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine

5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine (PubChem CID 54862255) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine
PubChem CID54862255
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine
SMILESCC(Nc1ccc(Cl)c2cccnc12)c1cccs1
InChIInChI=1S/C15H13ClN2S/c1-10(14-5-3-9-19-14)18-13-7-6-12(16)11-4-2-8-17-15(11)13/h2-10,18H,1H3
InChIKeyYLEQKLPBQDYFJS-UHFFFAOYSA-N
XLogP5.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.80
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine
CID 63993460
5-chloro-N-(1-pyridin-3-ylethyl)quinolin-8-amine
CID 60927982
5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine
CID 63449094
5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine
CID 60928480
2-[(5-chloroquinolin-8-yl)amino]propanoic acid
CID 66172326
2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8716298
2-methoxy-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 43721891
2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide
CID 116783987
N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 43397770
2-N,2-N-dimethyl-3-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine
CID 43707843
1-(5-chloroquinolin-8-yl)-3-propan-2-ylthiourea
CID 115577732
8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine
CID 43731715

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine?
The IUPAC name of 5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine (CID 54862255) is 5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine?
The canonical SMILES for 5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine is CC(Nc1ccc(Cl)c2cccnc12)c1cccs1.
What is the InChIKey of 5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine?
The InChIKey is YLEQKLPBQDYFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-10(14-5-3-9-19-14)18-13-7-6-12(16)11-4-2-8-17-15(11)13/h2-10,18H,1H3.
What are the key properties of 5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine?
5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine has a molecular weight of 288.80 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine is sourced from PubChem (CID 54862255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).