6,8,9,10,11,12-hexahydrothiochromeno[3,4-c]quinolin-7-one

C16H15NOS — CID 10825862

IUPAC6,8,9,10,11,12-hexahydrothiochromeno[3,4-c]quinolin-7-one
SMILESO=c1[nH]c2c(c3c1CSc1ccccc1-3)CCCC2
InChIInChI=1S/C16H15NOS/c18-16-12-9-19-14-8-4-2-6-11(14)15(12)10-5-1-3-7-13(10)17-16/h2,4,6,8H,1,3,5,7,9H2,(H,17,18)
InChIKeyNFKOOKRKTOXGNE-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.53
Rot. Bonds

About 6,8,9,10,11,12-hexahydrothiochromeno[3,4-c]quinolin-7-one

6,8,9,10,11,12-hexahydrothiochromeno[3,4-c]quinolin-7-one (PubChem CID 10825862) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 6,8,9,10,11,12-hexahydrothiochromeno[3,4-c]quinolin-7-one.

Molecular Properties

Compound Name6,8,9,10,11,12-hexahydrothiochromeno[3,4-c]quinolin-7-one
PubChem CID10825862
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name6,8,9,10,11,12-hexahydrothiochromeno[3,4-c]quinolin-7-one
SMILESO=c1[nH]c2c(c3c1CSc1ccccc1-3)CCCC2
InChIInChI=1S/C16H15NOS/c18-16-12-9-19-14-8-4-2-6-11(14)15(12)10-5-1-3-7-13(10)17-16/h2,4,6,8H,1,3,5,7,9H2,(H,17,18)
InChIKeyNFKOOKRKTOXGNE-UHFFFAOYSA-N
XLogP3.53
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8,9,10,11,12-hexahydrothiochromeno[3,4-c]quinolin-7-one?
The IUPAC name of 6,8,9,10,11,12-hexahydrothiochromeno[3,4-c]quinolin-7-one (CID 10825862) is 6,8,9,10,11,12-hexahydrothiochromeno[3,4-c]quinolin-7-one.
What is the SMILES notation for 6,8,9,10,11,12-hexahydrothiochromeno[3,4-c]quinolin-7-one?
The canonical SMILES for 6,8,9,10,11,12-hexahydrothiochromeno[3,4-c]quinolin-7-one is O=c1[nH]c2c(c3c1CSc1ccccc1-3)CCCC2.
What is the InChIKey of 6,8,9,10,11,12-hexahydrothiochromeno[3,4-c]quinolin-7-one?
The InChIKey is NFKOOKRKTOXGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c18-16-12-9-19-14-8-4-2-6-11(14)15(12)10-5-1-3-7-13(10)17-16/h2,4,6,8H,1,3,5,7,9H2,(H,17,18).
What are the key properties of 6,8,9,10,11,12-hexahydrothiochromeno[3,4-c]quinolin-7-one?
6,8,9,10,11,12-hexahydrothiochromeno[3,4-c]quinolin-7-one has a molecular weight of 269.37 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,9,10,11,12-hexahydrothiochromeno[3,4-c]quinolin-7-one is sourced from PubChem (CID 10825862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).