4-methyl-6-(trifluoromethyl)-2,3-dihydrothieno[3,2-c]quinoline

C13H10F3NS — CID 1472948

IUPAC4-methyl-6-(trifluoromethyl)-2,3-dihydrothieno[3,2-c]quinoline
SMILESCc1nc2c(C(F)(F)F)cccc2c2c1CCS2
InChIInChI=1S/C13H10F3NS/c1-7-8-5-6-18-12(8)9-3-2-4-10(11(9)17-7)13(14,15)16/h2-4H,5-6H2,1H3
InChIKeyNANQLWDUWSXNND-UHFFFAOYSA-N
MW269.29 g/mol
LogP4.21
Rot. Bonds

About 4-methyl-6-(trifluoromethyl)-2,3-dihydrothieno[3,2-c]quinoline

4-methyl-6-(trifluoromethyl)-2,3-dihydrothieno[3,2-c]quinoline (PubChem CID 1472948) has the molecular formula C13H10F3NS and a molecular weight of 269.29 g/mol. Its IUPAC name is 4-methyl-6-(trifluoromethyl)-2,3-dihydrothieno[3,2-c]quinoline.

Molecular Properties

Compound Name4-methyl-6-(trifluoromethyl)-2,3-dihydrothieno[3,2-c]quinoline
PubChem CID1472948
Molecular FormulaC13H10F3NS
Molecular Weight269.29 g/mol
Exact Mass269.05
IUPAC Name4-methyl-6-(trifluoromethyl)-2,3-dihydrothieno[3,2-c]quinoline
SMILESCc1nc2c(C(F)(F)F)cccc2c2c1CCS2
InChIInChI=1S/C13H10F3NS/c1-7-8-5-6-18-12(8)9-3-2-4-10(11(9)17-7)13(14,15)16/h2-4H,5-6H2,1H3
InChIKeyNANQLWDUWSXNND-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(trifluoromethyl)-2,3-dihydrothieno[3,2-c]quinoline?
The IUPAC name of 4-methyl-6-(trifluoromethyl)-2,3-dihydrothieno[3,2-c]quinoline (CID 1472948) is 4-methyl-6-(trifluoromethyl)-2,3-dihydrothieno[3,2-c]quinoline.
What is the SMILES notation for 4-methyl-6-(trifluoromethyl)-2,3-dihydrothieno[3,2-c]quinoline?
The canonical SMILES for 4-methyl-6-(trifluoromethyl)-2,3-dihydrothieno[3,2-c]quinoline is Cc1nc2c(C(F)(F)F)cccc2c2c1CCS2.
What is the InChIKey of 4-methyl-6-(trifluoromethyl)-2,3-dihydrothieno[3,2-c]quinoline?
The InChIKey is NANQLWDUWSXNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NS/c1-7-8-5-6-18-12(8)9-3-2-4-10(11(9)17-7)13(14,15)16/h2-4H,5-6H2,1H3.
What are the key properties of 4-methyl-6-(trifluoromethyl)-2,3-dihydrothieno[3,2-c]quinoline?
4-methyl-6-(trifluoromethyl)-2,3-dihydrothieno[3,2-c]quinoline has a molecular weight of 269.29 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(trifluoromethyl)-2,3-dihydrothieno[3,2-c]quinoline is sourced from PubChem (CID 1472948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).