3-Fluoro-7-methyl-6H-(1)benzothiopyrano(4,3-b)quinoline

HCID 40548

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Basic information

CAS: 52831-48-8
Standard SMILES: Cc1c2c(nc3ccccc13)-c1ccc(F)cc1SC2
InChIKey: DTZNMYIUKRSBSC-UHFFFAOYSA-N
Molecular formula: C17H12FNS
Average molar mass: 281.3 g/mol
Monoisotopic mass: 281.06744872

Names & identifiers

Preferred name: 3-Fluoro-7-methyl-6H-(1)benzothiopyrano(4,3-b)quinoline
IUPAC: 3-fluoro-7-methyl-6H-thiochromeno[4,3-b]quinoline

Names & synonyms

3-Fluoro-7-methyl-6H-(1)benzothiopyrano(4,3-b)quinoline52831-48-86H-(1)BENZOTHIOPYRANO(4,3-b)QUINOLINE, 3-FLUORO-7-METHYL-3-Fluoro-7-methyl-6H-[1]benzothiopyrano[4,3-b]quinolineBRN 4856434DTXSID90200810

Database identifiers

CAS: 52831-48-8
PubChem CID: 40548
DTXSID: DTXSID90200810
Nikkaji: J67.813I

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 38.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 20
Formal charge: 0
Complexity: 363

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