7-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)quinoline

C18H15NOS — CID 107314478

IUPAC7-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)quinoline
SMILESc1ccc2c(c1)SCC2COc1ccc2cccnc2c1
InChIInChI=1S/C18H15NOS/c1-2-6-18-16(5-1)14(12-21-18)11-20-15-8-7-13-4-3-9-19-17(13)10-15/h1-10,14H,11-12H2
InChIKeyDEKBEACUVAKVGU-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.50
Rot. Bonds3

About 7-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)quinoline

7-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)quinoline (PubChem CID 107314478) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 7-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)quinoline.

Molecular Properties

Compound Name7-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)quinoline
PubChem CID107314478
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name7-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)quinoline
SMILESc1ccc2c(c1)SCC2COc1ccc2cccnc2c1
InChIInChI=1S/C18H15NOS/c1-2-6-18-16(5-1)14(12-21-18)11-20-15-8-7-13-4-3-9-19-17(13)10-15/h1-10,14H,11-12H2
InChIKeyDEKBEACUVAKVGU-UHFFFAOYSA-N
XLogP4.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)quinoline?
The IUPAC name of 7-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)quinoline (CID 107314478) is 7-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)quinoline.
What is the SMILES notation for 7-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)quinoline?
The canonical SMILES for 7-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)quinoline is c1ccc2c(c1)SCC2COc1ccc2cccnc2c1.
What is the InChIKey of 7-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)quinoline?
The InChIKey is DEKBEACUVAKVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c1-2-6-18-16(5-1)14(12-21-18)11-20-15-8-7-13-4-3-9-19-17(13)10-15/h1-10,14H,11-12H2.
What are the key properties of 7-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)quinoline?
7-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)quinoline has a molecular weight of 293.39 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)quinoline is sourced from PubChem (CID 107314478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).