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

C18H11F2NO2S — CID 53472537

IUPAC9-(3,4-difluorophenyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(F)c(F)c1
InChIInChI=1S/C18H11F2NO2S/c1-23-14-5-4-13-16(10-6-7-24-17(10)18(22)21-13)15(14)9-2-3-11(19)12(20)8-9/h2-8H,1H3,(H,21,22)
InChIKeyTUYAMPOPPVMZOB-UHFFFAOYSA-N
MW343.35 g/mol
LogP4.70
Rot. Bonds2

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

9-(3,4-difluorophenyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 53472537) has the molecular formula C18H11F2NO2S and a molecular weight of 343.35 g/mol. Its IUPAC name is 9-(3,4-difluorophenyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-(3,4-difluorophenyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID53472537
Molecular FormulaC18H11F2NO2S
Molecular Weight343.35 g/mol
Exact Mass343.05
IUPAC Name9-(3,4-difluorophenyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(F)c(F)c1
InChIInChI=1S/C18H11F2NO2S/c1-23-14-5-4-13-16(10-6-7-24-17(10)18(22)21-13)15(14)9-2-3-11(19)12(20)8-9/h2-8H,1H3,(H,21,22)
InChIKeyTUYAMPOPPVMZOB-UHFFFAOYSA-N
XLogP4.70
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-9-(4-(1-aminopropan-2-yl)phenyl)-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one
CID 67448836
(R)-9-(4-(1-Aminoethyl)phenyl)-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one
CID 68229183
10-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one
CID 1779937
N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 12004904
N-[2-(aminocarbonyl)phenyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010448
N-(3-acetylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010472
N-[2-(2-methylphenyl)-4-oxo-4H-chromen-6-yl]thiophene-2-carboxamide
CID 18568685
(3S,4S)-N-(3-cyano-4-methoxyphenyl)-2-(2-methylpropyl)-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 155552008
N-(2,4-difluorophenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010355
N-[2-(2,5-Dimethoxyphenyl)ethyl]-5-ethyl-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 16008759
N-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
CID 16009012
(3S,4S)-2-(2-methylpropyl)-1-oxo-3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydroisoquinoline-4-carboxamide
CID 155512703

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-difluorophenyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-(3,4-difluorophenyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (CID 53472537) is 9-(3,4-difluorophenyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-(3,4-difluorophenyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-(3,4-difluorophenyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(F)c(F)c1.
What is the InChIKey of 9-(3,4-difluorophenyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is TUYAMPOPPVMZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2NO2S/c1-23-14-5-4-13-16(10-6-7-24-17(10)18(22)21-13)15(14)9-2-3-11(19)12(20)8-9/h2-8H,1H3,(H,21,22).
What are the key properties of 9-(3,4-difluorophenyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
9-(3,4-difluorophenyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 343.35 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-difluorophenyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 53472537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).