N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine

C15H13ClN2S — CID 43438935

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine
SMILESCC(Nc1cccc2cccnc12)c1ccc(Cl)s1
InChIInChI=1S/C15H13ClN2S/c1-10(13-7-8-14(16)19-13)18-12-6-2-4-11-5-3-9-17-15(11)12/h2-10,18H,1H3
InChIKeyAFTCPJQGKNNEIX-UHFFFAOYSA-N
MW288.80 g/mol
LogP5.12
Rot. Bonds3

About N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine (PubChem CID 43438935) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine
PubChem CID43438935
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine
SMILESCC(Nc1cccc2cccnc12)c1ccc(Cl)s1
InChIInChI=1S/C15H13ClN2S/c1-10(13-7-8-14(16)19-13)18-12-6-2-4-11-5-3-9-17-15(11)12/h2-10,18H,1H3
InChIKeyAFTCPJQGKNNEIX-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

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
N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine
CID 43093613
2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43439175
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine
CID 43103063
6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine
CID 43674643
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline
CID 43381990
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline
CID 43683406
N-[1-(2-methylphenyl)ethyl]quinolin-8-amine
CID 43191669
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine
CID 61472818
N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine
CID 63991411
N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine
CID 43438915

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine (CID 43438935) is N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine is CC(Nc1cccc2cccnc12)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine?
The InChIKey is AFTCPJQGKNNEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-10(13-7-8-14(16)19-13)18-12-6-2-4-11-5-3-9-17-15(11)12/h2-10,18H,1H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]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 N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine is sourced from PubChem (CID 43438935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).