[1]benzothiolo[2,3-c]quinoline

C15H9NS — CID 14022289

IUPAC[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc2c(c1)ncc1sc3ccccc3c12
InChIInChI=1S/C15H9NS/c1-3-7-12-10(5-1)15-11-6-2-4-8-13(11)17-14(15)9-16-12/h1-9H
InChIKeyCVOPJUWOMREKQK-UHFFFAOYSA-N
MW235.31 g/mol
LogP4.60
Rot. Bonds

About [1]benzothiolo[2,3-c]quinoline

[1]benzothiolo[2,3-c]quinoline (PubChem CID 14022289) has the molecular formula C15H9NS and a molecular weight of 235.31 g/mol. Its IUPAC name is [1]benzothiolo[2,3-c]quinoline.

Molecular Properties

Compound Name[1]benzothiolo[2,3-c]quinoline
PubChem CID14022289
Molecular FormulaC15H9NS
Molecular Weight235.31 g/mol
Exact Mass235.05
IUPAC Name[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc2c(c1)ncc1sc3ccccc3c12
InChIInChI=1S/C15H9NS/c1-3-7-12-10(5-1)15-11-6-2-4-8-13(11)17-14(15)9-16-12/h1-9H
InChIKeyCVOPJUWOMREKQK-UHFFFAOYSA-N
XLogP4.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[2,3-c]quinoline?
The IUPAC name of [1]benzothiolo[2,3-c]quinoline (CID 14022289) is [1]benzothiolo[2,3-c]quinoline.
What is the SMILES notation for [1]benzothiolo[2,3-c]quinoline?
The canonical SMILES for [1]benzothiolo[2,3-c]quinoline is c1ccc2c(c1)ncc1sc3ccccc3c12.
What is the InChIKey of [1]benzothiolo[2,3-c]quinoline?
The InChIKey is CVOPJUWOMREKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NS/c1-3-7-12-10(5-1)15-11-6-2-4-8-13(11)17-14(15)9-16-12/h1-9H.
What are the key properties of [1]benzothiolo[2,3-c]quinoline?
[1]benzothiolo[2,3-c]quinoline has a molecular weight of 235.31 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 14022289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).