N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine

C15H13ClN2S — CID 61472818

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine
SMILESCC(Nc1ccnc2ccccc12)c1ccc(Cl)s1
InChIInChI=1S/C15H13ClN2S/c1-10(14-6-7-15(16)19-14)18-13-8-9-17-12-5-3-2-4-11(12)13/h2-10H,1H3,(H,17,18)
InChIKeyAYKKOTYQDBYNHI-UHFFFAOYSA-N
MW288.80 g/mol
LogP5.12
Rot. Bonds3

About N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine (PubChem CID 61472818) 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-4-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine
PubChem CID61472818
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine
SMILESCC(Nc1ccnc2ccccc12)c1ccc(Cl)s1
InChIInChI=1S/C15H13ClN2S/c1-10(14-6-7-15(16)19-14)18-13-8-9-17-12-5-3-2-4-11(12)13/h2-10H,1H3,(H,17,18)
InChIKeyAYKKOTYQDBYNHI-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

4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine
CID 83060731
1-(5-chlorothiophen-2-yl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850550
3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 104540086
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]quinolin-4-amine
CID 63940208
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyisoquinolin-1-amine
CID 106538035
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-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine
CID 43438935
N-(1-cyclopropylethyl)quinolin-4-amine
CID 61340996
4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine
CID 61469011
4-[1-(5-chlorothiophen-2-yl)ethylamino]cinnoline-3-carbonitrile
CID 64897695
N-(1-chloro-3-methylbutan-2-yl)quinolin-4-amine
CID 79267735

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine (CID 61472818) is N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine is CC(Nc1ccnc2ccccc12)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine?
The InChIKey is AYKKOTYQDBYNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-10(14-6-7-15(16)19-14)18-13-8-9-17-12-5-3-2-4-11(12)13/h2-10H,1H3,(H,17,18).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-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-4-amine is sourced from PubChem (CID 61472818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).