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

C16H7FN2OS — CID 1398299

IUPAC9-fluoro-6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile
SMILESN#Cc1c(=O)c2sc3cc(F)ccc3c2n2ccccc12
InChIInChI=1S/C16H7FN2OS/c17-9-4-5-10-13(7-9)21-16-14(10)19-6-2-1-3-12(19)11(8-18)15(16)20/h1-7H
InChIKeyHTUANXVBYVQOKU-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.68
Rot. Bonds

About 9-fluoro-6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile

9-fluoro-6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile (PubChem CID 1398299) has the molecular formula C16H7FN2OS and a molecular weight of 294.31 g/mol. Its IUPAC name is 9-fluoro-6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile.

Molecular Properties

Compound Name9-fluoro-6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile
PubChem CID1398299
Molecular FormulaC16H7FN2OS
Molecular Weight294.31 g/mol
Exact Mass294.03
IUPAC Name9-fluoro-6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile
SMILESN#Cc1c(=O)c2sc3cc(F)ccc3c2n2ccccc12
InChIInChI=1S/C16H7FN2OS/c17-9-4-5-10-13(7-9)21-16-14(10)19-6-2-1-3-12(19)11(8-18)15(16)20/h1-7H
InChIKeyHTUANXVBYVQOKU-UHFFFAOYSA-N
XLogP3.68
TPSA45.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile?
The IUPAC name of 9-fluoro-6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile (CID 1398299) is 9-fluoro-6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile.
What is the SMILES notation for 9-fluoro-6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile?
The canonical SMILES for 9-fluoro-6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile is N#Cc1c(=O)c2sc3cc(F)ccc3c2n2ccccc12.
What is the InChIKey of 9-fluoro-6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile?
The InChIKey is HTUANXVBYVQOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7FN2OS/c17-9-4-5-10-13(7-9)21-16-14(10)19-6-2-1-3-12(19)11(8-18)15(16)20/h1-7H.
What are the key properties of 9-fluoro-6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile?
9-fluoro-6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile has a molecular weight of 294.31 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-6-oxo-[1]benzothiolo[2,3-c]quinolizine-5-carbonitrile is sourced from PubChem (CID 1398299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).