[1]benzothiolo[2,3-b]quinoline-11-carbonitrile

C16H8N2S — CID 122400153

IUPAC[1]benzothiolo[2,3-b]quinoline-11-carbonitrile
SMILESN#Cc1c2ccccc2nc2sc3ccccc3c12
InChIInChI=1S/C16H8N2S/c17-9-12-10-5-1-3-7-13(10)18-16-15(12)11-6-2-4-8-14(11)19-16/h1-8H
InChIKeyKCJOITNNMDYCBS-UHFFFAOYSA-N
MW260.32 g/mol
LogP4.47
Rot. Bonds

About [1]benzothiolo[2,3-b]quinoline-11-carbonitrile

[1]benzothiolo[2,3-b]quinoline-11-carbonitrile (PubChem CID 122400153) has the molecular formula C16H8N2S and a molecular weight of 260.32 g/mol. Its IUPAC name is [1]benzothiolo[2,3-b]quinoline-11-carbonitrile.

Molecular Properties

Compound Name[1]benzothiolo[2,3-b]quinoline-11-carbonitrile
PubChem CID122400153
Molecular FormulaC16H8N2S
Molecular Weight260.32 g/mol
Exact Mass260.04
IUPAC Name[1]benzothiolo[2,3-b]quinoline-11-carbonitrile
SMILESN#Cc1c2ccccc2nc2sc3ccccc3c12
InChIInChI=1S/C16H8N2S/c17-9-12-10-5-1-3-7-13(10)18-16-15(12)11-6-2-4-8-14(11)19-16/h1-8H
InChIKeyKCJOITNNMDYCBS-UHFFFAOYSA-N
XLogP4.47
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Thienyl)quinoline
CID 251365
3-Amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
CID 713661
2-Benzothiazol-2-yl-quinoline
CID 699802
(2E)-2-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enenitrile
CID 5705868
(1)Benzothieno(3,2-b)quinoline
CID 828263
3-Amino-8-methylthieno[2,3-b]quinoline-2-carbonitrile
CID 649697
3-Amino-6-cyclopropyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile
CID 747807
3-Amino-4-phenyl-6-(2-thienyl)thieno[2,3-b]pyridine-2-carbonitrile
CID 845544
2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline
CID 6056275
2-[(E)-2-(4-phenylthiophen-2-yl)ethenyl]quinoline;hydroiodide
CID 46906802
2-[(E)-2-(5-phenylthiophen-2-yl)ethenyl]quinoline;hydroiodide
CID 46906859
2-(4-Fluorobenzylsulfanyl)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1886699

Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[2,3-b]quinoline-11-carbonitrile?
The IUPAC name of [1]benzothiolo[2,3-b]quinoline-11-carbonitrile (CID 122400153) is [1]benzothiolo[2,3-b]quinoline-11-carbonitrile.
What is the SMILES notation for [1]benzothiolo[2,3-b]quinoline-11-carbonitrile?
The canonical SMILES for [1]benzothiolo[2,3-b]quinoline-11-carbonitrile is N#Cc1c2ccccc2nc2sc3ccccc3c12.
What is the InChIKey of [1]benzothiolo[2,3-b]quinoline-11-carbonitrile?
The InChIKey is KCJOITNNMDYCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8N2S/c17-9-12-10-5-1-3-7-13(10)18-16-15(12)11-6-2-4-8-14(11)19-16/h1-8H.
What are the key properties of [1]benzothiolo[2,3-b]quinoline-11-carbonitrile?
[1]benzothiolo[2,3-b]quinoline-11-carbonitrile has a molecular weight of 260.32 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[2,3-b]quinoline-11-carbonitrile is sourced from PubChem (CID 122400153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).