5-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine

C16H15ClN2S — CID 63993460

IUPAC5-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine
SMILESCc1ccsc1C(C)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H15ClN2S/c1-10-7-9-20-16(10)11(2)19-14-6-5-13(17)12-4-3-8-18-15(12)14/h3-9,11,19H,1-2H3
InChIKeyCYPFUWMBXPQBMX-UHFFFAOYSA-N
MW302.83 g/mol
LogP5.43
Rot. Bonds3

About 5-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine

5-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine (PubChem CID 63993460) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 5-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine
PubChem CID63993460
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name5-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine
SMILESCc1ccsc1C(C)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H15ClN2S/c1-10-7-9-20-16(10)11(2)19-14-6-5-13(17)12-4-3-8-18-15(12)14/h3-9,11,19H,1-2H3
InChIKeyCYPFUWMBXPQBMX-UHFFFAOYSA-N
XLogP5.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.83
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine
CID 54862255
N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine
CID 63991411
5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine
CID 63449094
5-chloro-N-(1-pyridin-3-ylethyl)quinolin-8-amine
CID 60927982
5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine
CID 60928480
2-[(5-chloroquinolin-8-yl)amino]propanoic acid
CID 66172326
N-[1-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine
CID 115916926
1-(5-chloroquinolin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 115697393
2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide
CID 116783987
N-[(3-bromothiophen-2-yl)methyl]-5-chloroquinolin-8-amine
CID 115380155
8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine
CID 43731715
6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine
CID 43779310

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine?
The IUPAC name of 5-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine (CID 63993460) is 5-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine?
The canonical SMILES for 5-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine is Cc1ccsc1C(C)Nc1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine?
The InChIKey is CYPFUWMBXPQBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-10-7-9-20-16(10)11(2)19-14-6-5-13(17)12-4-3-8-18-15(12)14/h3-9,11,19H,1-2H3.
What are the key properties of 5-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine?
5-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine has a molecular weight of 302.83 g/mol, XLogP of 5.43, 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-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine is sourced from PubChem (CID 63993460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).