9-[4-(difluoromethoxy)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one

C19H13F2NO3S — CID 53472672

IUPAC9-[4-(difluoromethoxy)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H13F2NO3S/c1-24-14-7-6-13-16(12-8-9-26-17(12)18(23)22-13)15(14)10-2-4-11(5-3-10)25-19(20)21/h2-9,19H,1H3,(H,22,23)
InChIKeyGDITVZBUKXDQQH-UHFFFAOYSA-N
MW373.38 g/mol
LogP5.02
Rot. Bonds4

About 9-[4-(difluoromethoxy)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one

9-[4-(difluoromethoxy)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 53472672) has the molecular formula C19H13F2NO3S and a molecular weight of 373.38 g/mol. Its IUPAC name is 9-[4-(difluoromethoxy)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[4-(difluoromethoxy)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID53472672
Molecular FormulaC19H13F2NO3S
Molecular Weight373.38 g/mol
Exact Mass373.06
IUPAC Name9-[4-(difluoromethoxy)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H13F2NO3S/c1-24-14-7-6-13-16(12-8-9-26-17(12)18(23)22-13)15(14)10-2-4-11(5-3-10)25-19(20)21/h2-9,19H,1H3,(H,22,23)
InChIKeyGDITVZBUKXDQQH-UHFFFAOYSA-N
XLogP5.02
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.38
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(difluoromethoxy)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[4-(difluoromethoxy)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (CID 53472672) is 9-[4-(difluoromethoxy)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[4-(difluoromethoxy)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[4-(difluoromethoxy)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 9-[4-(difluoromethoxy)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is GDITVZBUKXDQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO3S/c1-24-14-7-6-13-16(12-8-9-26-17(12)18(23)22-13)15(14)10-2-4-11(5-3-10)25-19(20)21/h2-9,19H,1H3,(H,22,23).
What are the key properties of 9-[4-(difluoromethoxy)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
9-[4-(difluoromethoxy)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 373.38 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(difluoromethoxy)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 53472672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).