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

C19H13F2NO2S — CID 53472802

IUPAC9-[3-(difluoromethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1cccc(C(F)F)c1
InChIInChI=1S/C19H13F2NO2S/c1-24-14-6-5-13-16(12-7-8-25-17(12)19(23)22-13)15(14)10-3-2-4-11(9-10)18(20)21/h2-9,18H,1H3,(H,22,23)
InChIKeyROBYKMFKISEHGH-UHFFFAOYSA-N
MW357.38 g/mol
LogP5.36
Rot. Bonds3

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

9-[3-(difluoromethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 53472802) has the molecular formula C19H13F2NO2S and a molecular weight of 357.38 g/mol. Its IUPAC name is 9-[3-(difluoromethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[3-(difluoromethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID53472802
Molecular FormulaC19H13F2NO2S
Molecular Weight357.38 g/mol
Exact Mass357.06
IUPAC Name9-[3-(difluoromethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1cccc(C(F)F)c1
InChIInChI=1S/C19H13F2NO2S/c1-24-14-6-5-13-16(12-7-8-25-17(12)19(23)22-13)15(14)10-3-2-4-11(9-10)18(20)21/h2-9,18H,1H3,(H,22,23)
InChIKeyROBYKMFKISEHGH-UHFFFAOYSA-N
XLogP5.36
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.38
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ots964
CID 67448186
(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
OTS514 hydrochloride
CID 92044487
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-(3-acetylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010472
Methyl 4-(3-((4-(trifluoromethoxy)phenyl)carbamoyl)phenyl)thiophene-2-carboxylate
CID 72202880
N-(2,4-difluorophenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010355
N-ethyl-N-(4-methoxyphenyl)-8-methyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 16189383
(3S,4S)-2-(2-methylpropyl)-1-oxo-3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydroisoquinoline-4-carboxamide
CID 155512703
7-(4-methoxyanilino)-9-thiophen-2-yl-5H-phenanthridin-6-one
CID 162646678

Frequently Asked Questions

What is the IUPAC name of 9-[3-(difluoromethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[3-(difluoromethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (CID 53472802) is 9-[3-(difluoromethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[3-(difluoromethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[3-(difluoromethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is COc1ccc2[nH]c(=O)c3sccc3c2c1-c1cccc(C(F)F)c1.
What is the InChIKey of 9-[3-(difluoromethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is ROBYKMFKISEHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO2S/c1-24-14-6-5-13-16(12-7-8-25-17(12)19(23)22-13)15(14)10-3-2-4-11(9-10)18(20)21/h2-9,18H,1H3,(H,22,23).
What are the key properties of 9-[3-(difluoromethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
9-[3-(difluoromethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 357.38 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(difluoromethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 53472802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).