9-(3-ethenyl-4-fluorophenyl)-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one

C19H18FNOS — CID 18186998

IUPAC9-(3-ethenyl-4-fluorophenyl)-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one
SMILESC=Cc1cc(C2C3=C(CCS3)NC3=C2C(=O)CCC3)ccc1F
InChIInChI=1S/C19H18FNOS/c1-2-11-10-12(6-7-13(11)20)17-18-14(4-3-5-16(18)22)21-15-8-9-23-19(15)17/h2,6-7,10,17,21H,1,3-5,8-9H2
InChIKeyXZIGRFAPCABWSR-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.51
Rot. Bonds2

About 9-(3-ethenyl-4-fluorophenyl)-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one

9-(3-ethenyl-4-fluorophenyl)-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one (PubChem CID 18186998) has the molecular formula C19H18FNOS and a molecular weight of 327.42 g/mol. Its IUPAC name is 9-(3-ethenyl-4-fluorophenyl)-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one.

Molecular Properties

Compound Name9-(3-ethenyl-4-fluorophenyl)-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one
PubChem CID18186998
Molecular FormulaC19H18FNOS
Molecular Weight327.42 g/mol
Exact Mass327.11
IUPAC Name9-(3-ethenyl-4-fluorophenyl)-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one
SMILESC=Cc1cc(C2C3=C(CCS3)NC3=C2C(=O)CCC3)ccc1F
InChIInChI=1S/C19H18FNOS/c1-2-11-10-12(6-7-13(11)20)17-18-14(4-3-5-16(18)22)21-15-8-9-23-19(15)17/h2,6-7,10,17,21H,1,3-5,8-9H2
InChIKeyXZIGRFAPCABWSR-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(3-ethenyl-4-fluorophenyl)-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one?
The IUPAC name of 9-(3-ethenyl-4-fluorophenyl)-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one (CID 18186998) is 9-(3-ethenyl-4-fluorophenyl)-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one.
What is the SMILES notation for 9-(3-ethenyl-4-fluorophenyl)-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one?
The canonical SMILES for 9-(3-ethenyl-4-fluorophenyl)-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one is C=Cc1cc(C2C3=C(CCS3)NC3=C2C(=O)CCC3)ccc1F.
What is the InChIKey of 9-(3-ethenyl-4-fluorophenyl)-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one?
The InChIKey is XZIGRFAPCABWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNOS/c1-2-11-10-12(6-7-13(11)20)17-18-14(4-3-5-16(18)22)21-15-8-9-23-19(15)17/h2,6-7,10,17,21H,1,3-5,8-9H2.
What are the key properties of 9-(3-ethenyl-4-fluorophenyl)-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one?
9-(3-ethenyl-4-fluorophenyl)-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one has a molecular weight of 327.42 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-ethenyl-4-fluorophenyl)-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one is sourced from PubChem (CID 18186998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).