7-methoxy-3-(thiophen-2-ylsulfanylmethyl)quinolin-2-amine

C15H14N2OS2 — CID 62189597

IUPAC7-methoxy-3-(thiophen-2-ylsulfanylmethyl)quinolin-2-amine
SMILESCOc1ccc2cc(CSc3cccs3)c(N)nc2c1
InChIInChI=1S/C15H14N2OS2/c1-18-12-5-4-10-7-11(15(16)17-13(10)8-12)9-20-14-3-2-6-19-14/h2-8H,9H2,1H3,(H2,16,17)
InChIKeyUPXTUSPZDMYQAS-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.18
Rot. Bonds4

About 7-methoxy-3-(thiophen-2-ylsulfanylmethyl)quinolin-2-amine

7-methoxy-3-(thiophen-2-ylsulfanylmethyl)quinolin-2-amine (PubChem CID 62189597) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 7-methoxy-3-(thiophen-2-ylsulfanylmethyl)quinolin-2-amine.

Molecular Properties

Compound Name7-methoxy-3-(thiophen-2-ylsulfanylmethyl)quinolin-2-amine
PubChem CID62189597
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name7-methoxy-3-(thiophen-2-ylsulfanylmethyl)quinolin-2-amine
SMILESCOc1ccc2cc(CSc3cccs3)c(N)nc2c1
InChIInChI=1S/C15H14N2OS2/c1-18-12-5-4-10-7-11(15(16)17-13(10)8-12)9-20-14-3-2-6-19-14/h2-8H,9H2,1H3,(H2,16,17)
InChIKeyUPXTUSPZDMYQAS-UHFFFAOYSA-N
XLogP4.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(thiophen-2-ylsulfanylmethyl)quinolin-2-amine?
The IUPAC name of 7-methoxy-3-(thiophen-2-ylsulfanylmethyl)quinolin-2-amine (CID 62189597) is 7-methoxy-3-(thiophen-2-ylsulfanylmethyl)quinolin-2-amine.
What is the SMILES notation for 7-methoxy-3-(thiophen-2-ylsulfanylmethyl)quinolin-2-amine?
The canonical SMILES for 7-methoxy-3-(thiophen-2-ylsulfanylmethyl)quinolin-2-amine is COc1ccc2cc(CSc3cccs3)c(N)nc2c1.
What is the InChIKey of 7-methoxy-3-(thiophen-2-ylsulfanylmethyl)quinolin-2-amine?
The InChIKey is UPXTUSPZDMYQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c1-18-12-5-4-10-7-11(15(16)17-13(10)8-12)9-20-14-3-2-6-19-14/h2-8H,9H2,1H3,(H2,16,17).
What are the key properties of 7-methoxy-3-(thiophen-2-ylsulfanylmethyl)quinolin-2-amine?
7-methoxy-3-(thiophen-2-ylsulfanylmethyl)quinolin-2-amine has a molecular weight of 302.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(thiophen-2-ylsulfanylmethyl)quinolin-2-amine is sourced from PubChem (CID 62189597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).