6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile

C16H8N2OS — CID 912946

IUPAC6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile
SMILESN#Cc1c(=O)c2sc3ccccc3c2n2ccccc12
InChIInChI=1S/C16H8N2OS/c17-9-11-12-6-3-4-8-18(12)14-10-5-1-2-7-13(10)20-16(14)15(11)19/h1-8H
InChIKeyYJFRCXDOJJBRBI-UHFFFAOYSA-N
MW276.32 g/mol
LogP3.54
Rot. Bonds

About 6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile

6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile (PubChem CID 912946) has the molecular formula C16H8N2OS and a molecular weight of 276.32 g/mol. Its IUPAC name is 6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile.

Molecular Properties

Compound Name6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile
PubChem CID912946
Molecular FormulaC16H8N2OS
Molecular Weight276.32 g/mol
Exact Mass276.04
IUPAC Name6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile
SMILESN#Cc1c(=O)c2sc3ccccc3c2n2ccccc12
InChIInChI=1S/C16H8N2OS/c17-9-11-12-6-3-4-8-18(12)14-10-5-1-2-7-13(10)20-16(14)15(11)19/h1-8H
InChIKeyYJFRCXDOJJBRBI-UHFFFAOYSA-N
XLogP3.54
TPSA45.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Benzo[b]thiophen-2-yl-methanoyl)-1,2-dihydro-quinoline-2-carbonitrile
CID 476605
4-[4-[3-(1-Benzothiophen-3-yl)-3-oxopropyl]piperazin-1-yl]benzonitrile
CID 52952100
4-[4-[3-(1-Benzothiophen-3-yl)-3-oxopropyl]-1,4-diazepan-1-yl]benzonitrile
CID 52952202
5-Methyl(1)benzothieno(3,2-B)quinolin-11(5H)-one
CID 10587770
1-(1-Benzothiophen-2-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 170859350
2-Phenyl-7-fluoro-4-hydroxyl-benzothieno[3,2-b]pyridine
CID 86722268
3-(1-Benzothiophen-2-yl)-1-[3-(dimethylamino)propyl]-6,7-difluoroquinolin-4-one
CID 163741818
1H-[1]benzothiolo[3,2-b]pyridin-4-one
CID 11413005
Ethyl 4-hydroxybenzo[4,5]thieno[3,2-b]pyridine
CID 167993249
9-fluoro-6-oxo-6H-[1]benzothieno[2,3-c]quinolizine-5-carbonitrile
CID 1398299
1-(1-Benzothiophen-2-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 170859348
5-Phenyl-4-(2-phenylethyl)thieno[3,2-b]pyridin-7-one
CID 102442712

Frequently Asked Questions

What is the IUPAC name of 6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile?
The IUPAC name of 6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile (CID 912946) is 6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile.
What is the SMILES notation for 6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile?
The canonical SMILES for 6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile is N#Cc1c(=O)c2sc3ccccc3c2n2ccccc12.
What is the InChIKey of 6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile?
The InChIKey is YJFRCXDOJJBRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8N2OS/c17-9-11-12-6-3-4-8-18(12)14-10-5-1-2-7-13(10)20-16(14)15(11)19/h1-8H.
What are the key properties of 6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile?
6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile has a molecular weight of 276.32 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile is sourced from PubChem (CID 912946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).