8-pyridin-3-yl-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one

C17H14N2OS — CID 53362551

IUPAC8-pyridin-3-yl-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one
SMILESO=c1c2c([nH]c3ccc(-c4cccnc4)cc13)CCSC2
InChIInChI=1S/C17H14N2OS/c20-17-13-8-11(12-2-1-6-18-9-12)3-4-15(13)19-16-5-7-21-10-14(16)17/h1-4,6,8-9H,5,7,10H2,(H,19,20)
InChIKeyVTLKUFCWJVNWLA-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.38
Rot. Bonds1

About 8-pyridin-3-yl-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one

8-pyridin-3-yl-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one (PubChem CID 53362551) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 8-pyridin-3-yl-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one.

Molecular Properties

Compound Name8-pyridin-3-yl-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one
PubChem CID53362551
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name8-pyridin-3-yl-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one
SMILESO=c1c2c([nH]c3ccc(-c4cccnc4)cc13)CCSC2
InChIInChI=1S/C17H14N2OS/c20-17-13-8-11(12-2-1-6-18-9-12)3-4-15(13)19-16-5-7-21-10-14(16)17/h1-4,6,8-9H,5,7,10H2,(H,19,20)
InChIKeyVTLKUFCWJVNWLA-UHFFFAOYSA-N
XLogP3.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-pyridin-3-yl-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one?
The IUPAC name of 8-pyridin-3-yl-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one (CID 53362551) is 8-pyridin-3-yl-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one.
What is the SMILES notation for 8-pyridin-3-yl-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one?
The canonical SMILES for 8-pyridin-3-yl-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one is O=c1c2c([nH]c3ccc(-c4cccnc4)cc13)CCSC2.
What is the InChIKey of 8-pyridin-3-yl-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one?
The InChIKey is VTLKUFCWJVNWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-17-13-8-11(12-2-1-6-18-9-12)3-4-15(13)19-16-5-7-21-10-14(16)17/h1-4,6,8-9H,5,7,10H2,(H,19,20).
What are the key properties of 8-pyridin-3-yl-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one?
8-pyridin-3-yl-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one has a molecular weight of 294.38 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridin-3-yl-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one is sourced from PubChem (CID 53362551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).