2-quinolin-2-yl-1-benzothiophen-3-ol

C17H11NOS — CID 135569931

IUPAC2-quinolin-2-yl-1-benzothiophen-3-ol
SMILESOc1c(-c2ccc3ccccc3n2)sc2ccccc12
InChIInChI=1S/C17H11NOS/c19-16-12-6-2-4-8-15(12)20-17(16)14-10-9-11-5-1-3-7-13(11)18-14/h1-10,19H
InChIKeyBFBSLZGNDAUTBG-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.82
Rot. Bonds1

About 2-quinolin-2-yl-1-benzothiophen-3-ol

2-quinolin-2-yl-1-benzothiophen-3-ol (PubChem CID 135569931) has the molecular formula C17H11NOS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-quinolin-2-yl-1-benzothiophen-3-ol.

Molecular Properties

Compound Name2-quinolin-2-yl-1-benzothiophen-3-ol
PubChem CID135569931
Molecular FormulaC17H11NOS
Molecular Weight277.35 g/mol
Exact Mass277.06
IUPAC Name2-quinolin-2-yl-1-benzothiophen-3-ol
SMILESOc1c(-c2ccc3ccccc3n2)sc2ccccc12
InChIInChI=1S/C17H11NOS/c19-16-12-6-2-4-8-15(12)20-17(16)14-10-9-11-5-1-3-7-13(11)18-14/h1-10,19H
InChIKeyBFBSLZGNDAUTBG-UHFFFAOYSA-N
XLogP4.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-yl-1-benzothiophen-3-ol?
The IUPAC name of 2-quinolin-2-yl-1-benzothiophen-3-ol (CID 135569931) is 2-quinolin-2-yl-1-benzothiophen-3-ol.
What is the SMILES notation for 2-quinolin-2-yl-1-benzothiophen-3-ol?
The canonical SMILES for 2-quinolin-2-yl-1-benzothiophen-3-ol is Oc1c(-c2ccc3ccccc3n2)sc2ccccc12.
What is the InChIKey of 2-quinolin-2-yl-1-benzothiophen-3-ol?
The InChIKey is BFBSLZGNDAUTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NOS/c19-16-12-6-2-4-8-15(12)20-17(16)14-10-9-11-5-1-3-7-13(11)18-14/h1-10,19H.
What are the key properties of 2-quinolin-2-yl-1-benzothiophen-3-ol?
2-quinolin-2-yl-1-benzothiophen-3-ol has a molecular weight of 277.35 g/mol, XLogP of 4.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-yl-1-benzothiophen-3-ol is sourced from PubChem (CID 135569931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).