9-methyl-7-(trifluoromethyl)thiochromeno[3,2-c]quinolin-7-ol

C18H12F3NOS — CID 102527738

IUPAC9-methyl-7-(trifluoromethyl)thiochromeno[3,2-c]quinolin-7-ol
SMILESCc1ccc2c(c1)C(O)(C(F)(F)F)c1cnc3ccccc3c1S2
InChIInChI=1S/C18H12F3NOS/c1-10-6-7-15-12(8-10)17(23,18(19,20)21)13-9-22-14-5-3-2-4-11(14)16(13)24-15/h2-9,23H,1H3
InChIKeyAHTIRGIRYBPGDD-UHFFFAOYSA-N
MW347.36 g/mol
LogP4.81
Rot. Bonds

About 9-methyl-7-(trifluoromethyl)thiochromeno[3,2-c]quinolin-7-ol

9-methyl-7-(trifluoromethyl)thiochromeno[3,2-c]quinolin-7-ol (PubChem CID 102527738) has the molecular formula C18H12F3NOS and a molecular weight of 347.36 g/mol. Its IUPAC name is 9-methyl-7-(trifluoromethyl)thiochromeno[3,2-c]quinolin-7-ol.

Molecular Properties

Compound Name9-methyl-7-(trifluoromethyl)thiochromeno[3,2-c]quinolin-7-ol
PubChem CID102527738
Molecular FormulaC18H12F3NOS
Molecular Weight347.36 g/mol
Exact Mass347.06
IUPAC Name9-methyl-7-(trifluoromethyl)thiochromeno[3,2-c]quinolin-7-ol
SMILESCc1ccc2c(c1)C(O)(C(F)(F)F)c1cnc3ccccc3c1S2
InChIInChI=1S/C18H12F3NOS/c1-10-6-7-15-12(8-10)17(23,18(19,20)21)13-9-22-14-5-3-2-4-11(14)16(13)24-15/h2-9,23H,1H3
InChIKeyAHTIRGIRYBPGDD-UHFFFAOYSA-N
XLogP4.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-7-(trifluoromethyl)thiochromeno[3,2-c]quinolin-7-ol?
The IUPAC name of 9-methyl-7-(trifluoromethyl)thiochromeno[3,2-c]quinolin-7-ol (CID 102527738) is 9-methyl-7-(trifluoromethyl)thiochromeno[3,2-c]quinolin-7-ol.
What is the SMILES notation for 9-methyl-7-(trifluoromethyl)thiochromeno[3,2-c]quinolin-7-ol?
The canonical SMILES for 9-methyl-7-(trifluoromethyl)thiochromeno[3,2-c]quinolin-7-ol is Cc1ccc2c(c1)C(O)(C(F)(F)F)c1cnc3ccccc3c1S2.
What is the InChIKey of 9-methyl-7-(trifluoromethyl)thiochromeno[3,2-c]quinolin-7-ol?
The InChIKey is AHTIRGIRYBPGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NOS/c1-10-6-7-15-12(8-10)17(23,18(19,20)21)13-9-22-14-5-3-2-4-11(14)16(13)24-15/h2-9,23H,1H3.
What are the key properties of 9-methyl-7-(trifluoromethyl)thiochromeno[3,2-c]quinolin-7-ol?
9-methyl-7-(trifluoromethyl)thiochromeno[3,2-c]quinolin-7-ol has a molecular weight of 347.36 g/mol, XLogP of 4.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7-(trifluoromethyl)thiochromeno[3,2-c]quinolin-7-ol is sourced from PubChem (CID 102527738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).