6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine

C16H14Cl2N2S — CID 43674643

IUPAC6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine
SMILESCc1cc(Cl)c(NC(C)c2ccc(Cl)s2)c2cccnc12
InChIInChI=1S/C16H14Cl2N2S/c1-9-8-12(17)16(11-4-3-7-19-15(9)11)20-10(2)13-5-6-14(18)21-13/h3-8,10,20H,1-2H3
InChIKeyWNFWUMGZKDIXHU-UHFFFAOYSA-N
MW337.28 g/mol
LogP6.08
Rot. Bonds3

About 6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine

6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine (PubChem CID 43674643) has the molecular formula C16H14Cl2N2S and a molecular weight of 337.28 g/mol. Its IUPAC name is 6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine
PubChem CID43674643
Molecular FormulaC16H14Cl2N2S
Molecular Weight337.28 g/mol
Exact Mass336.03
IUPAC Name6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine
SMILESCc1cc(Cl)c(NC(C)c2ccc(Cl)s2)c2cccnc12
InChIInChI=1S/C16H14Cl2N2S/c1-9-8-12(17)16(11-4-3-7-19-15(9)11)20-10(2)13-5-6-14(18)21-13/h3-8,10,20H,1-2H3
InChIKeyWNFWUMGZKDIXHU-UHFFFAOYSA-N
XLogP6.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.28
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine
CID 43779310
6-chloro-8-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-5-amine
CID 43674677
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-8-methylquinolin-5-amine
CID 104652307
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine
CID 43438935
6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine
CID 43779304
3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 104540086
4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine
CID 83060731
6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine
CID 63427847
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine
CID 61472818
6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine
CID 43674590
N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine
CID 43438915
N-[1-(5-ethylthiophen-2-yl)ethyl]-8-methylquinolin-5-amine
CID 63445661

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine?
The IUPAC name of 6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine (CID 43674643) is 6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine.
What is the SMILES notation for 6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine?
The canonical SMILES for 6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine is Cc1cc(Cl)c(NC(C)c2ccc(Cl)s2)c2cccnc12.
What is the InChIKey of 6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine?
The InChIKey is WNFWUMGZKDIXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2S/c1-9-8-12(17)16(11-4-3-7-19-15(9)11)20-10(2)13-5-6-14(18)21-13/h3-8,10,20H,1-2H3.
What are the key properties of 6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine?
6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine has a molecular weight of 337.28 g/mol, XLogP of 6.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine is sourced from PubChem (CID 43674643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).