5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carbonitrile

C13H10N2OS — CID 58199998

IUPAC5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carbonitrile
SMILESN#Cc1cccc2c3c(c(=O)[nH]c12)CSCC3
InChIInChI=1S/C13H10N2OS/c14-6-8-2-1-3-10-9-4-5-17-7-11(9)13(16)15-12(8)10/h1-3H,4-5,7H2,(H,15,16)
InChIKeyBRPATHULTQNPFK-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.19
Rot. Bonds

About 5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carbonitrile

5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carbonitrile (PubChem CID 58199998) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carbonitrile.

Molecular Properties

Compound Name5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carbonitrile
PubChem CID58199998
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carbonitrile
SMILESN#Cc1cccc2c3c(c(=O)[nH]c12)CSCC3
InChIInChI=1S/C13H10N2OS/c14-6-8-2-1-3-10-9-4-5-17-7-11(9)13(16)15-12(8)10/h1-3H,4-5,7H2,(H,15,16)
InChIKeyBRPATHULTQNPFK-UHFFFAOYSA-N
XLogP2.19
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carbonitrile?
The IUPAC name of 5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carbonitrile (CID 58199998) is 5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carbonitrile.
What is the SMILES notation for 5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carbonitrile?
The canonical SMILES for 5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carbonitrile is N#Cc1cccc2c3c(c(=O)[nH]c12)CSCC3.
What is the InChIKey of 5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carbonitrile?
The InChIKey is BRPATHULTQNPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c14-6-8-2-1-3-10-9-4-5-17-7-11(9)13(16)15-12(8)10/h1-3H,4-5,7H2,(H,15,16).
What are the key properties of 5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carbonitrile?
5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carbonitrile has a molecular weight of 242.30 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carbonitrile is sourced from PubChem (CID 58199998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).