2-quinolin-3-yl-1-benzothiophene-3-carbonitrile

C18H10N2S — CID 46228089

IUPAC2-quinolin-3-yl-1-benzothiophene-3-carbonitrile
SMILESN#Cc1c(-c2cnc3ccccc3c2)sc2ccccc12
InChIInChI=1S/C18H10N2S/c19-10-15-14-6-2-4-8-17(14)21-18(15)13-9-12-5-1-3-7-16(12)20-11-13/h1-9,11H
InChIKeyKGONVNCNUPXTQQ-UHFFFAOYSA-N
MW286.36 g/mol
LogP4.99
Rot. Bonds1

About 2-quinolin-3-yl-1-benzothiophene-3-carbonitrile

2-quinolin-3-yl-1-benzothiophene-3-carbonitrile (PubChem CID 46228089) has the molecular formula C18H10N2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-quinolin-3-yl-1-benzothiophene-3-carbonitrile.

Molecular Properties

Compound Name2-quinolin-3-yl-1-benzothiophene-3-carbonitrile
PubChem CID46228089
Molecular FormulaC18H10N2S
Molecular Weight286.36 g/mol
Exact Mass286.06
IUPAC Name2-quinolin-3-yl-1-benzothiophene-3-carbonitrile
SMILESN#Cc1c(-c2cnc3ccccc3c2)sc2ccccc12
InChIInChI=1S/C18H10N2S/c19-10-15-14-6-2-4-8-17(14)21-18(15)13-9-12-5-1-3-7-16(12)20-11-13/h1-9,11H
InChIKeyKGONVNCNUPXTQQ-UHFFFAOYSA-N
XLogP4.99
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-3-yl-1-benzothiophene-3-carbonitrile?
The IUPAC name of 2-quinolin-3-yl-1-benzothiophene-3-carbonitrile (CID 46228089) is 2-quinolin-3-yl-1-benzothiophene-3-carbonitrile.
What is the SMILES notation for 2-quinolin-3-yl-1-benzothiophene-3-carbonitrile?
The canonical SMILES for 2-quinolin-3-yl-1-benzothiophene-3-carbonitrile is N#Cc1c(-c2cnc3ccccc3c2)sc2ccccc12.
What is the InChIKey of 2-quinolin-3-yl-1-benzothiophene-3-carbonitrile?
The InChIKey is KGONVNCNUPXTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2S/c19-10-15-14-6-2-4-8-17(14)21-18(15)13-9-12-5-1-3-7-16(12)20-11-13/h1-9,11H.
What are the key properties of 2-quinolin-3-yl-1-benzothiophene-3-carbonitrile?
2-quinolin-3-yl-1-benzothiophene-3-carbonitrile has a molecular weight of 286.36 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-3-yl-1-benzothiophene-3-carbonitrile is sourced from PubChem (CID 46228089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).