7-bromo-6-fluoro-5H-thieno[2,3-c]quinolin-4-one

C11H5BrFNOS — CID 177252186

IUPAC7-bromo-6-fluoro-5H-thieno[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2c(F)c(Br)ccc2c2ccsc12
InChIInChI=1S/C11H5BrFNOS/c12-7-2-1-5-6-3-4-16-10(6)11(15)14-9(5)8(7)13/h1-4H,(H,14,15)
InChIKeyAFCQBDZXOZEPES-UHFFFAOYSA-N
MW298.14 g/mol
LogP3.64
Rot. Bonds

About 7-bromo-6-fluoro-5H-thieno[2,3-c]quinolin-4-one

7-bromo-6-fluoro-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 177252186) has the molecular formula C11H5BrFNOS and a molecular weight of 298.14 g/mol. Its IUPAC name is 7-bromo-6-fluoro-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name7-bromo-6-fluoro-5H-thieno[2,3-c]quinolin-4-one
PubChem CID177252186
Molecular FormulaC11H5BrFNOS
Molecular Weight298.14 g/mol
Exact Mass296.93
IUPAC Name7-bromo-6-fluoro-5H-thieno[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2c(F)c(Br)ccc2c2ccsc12
InChIInChI=1S/C11H5BrFNOS/c12-7-2-1-5-6-3-4-16-10(6)11(15)14-9(5)8(7)13/h1-4H,(H,14,15)
InChIKeyAFCQBDZXOZEPES-UHFFFAOYSA-N
XLogP3.64
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-fluoro-5H-thieno[2,3-c]quinolin-4-one
CID 53472353
9-bromo-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one
CID 171549551
7-bromo-3-(1,1-dideuterio-2-hydroxyethyl)-8-fluoro-4-hydroxy-1H-quinolin-2-one
CID 169302798
4-bromo-7-fluoro-1-benzothiophene
CID 22474138
7-oxo-6H-thieno[2,3-d]pyridazin-4-olate
CID 86307714
7-bromo-8-fluoro-2-phenyl-1H-quinolin-4-one
CID 169130419
9-[4-(aminomethyl)phenyl]-6-bromo-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67447606
9-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-6-bromo-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67447571
9-[4-[(1R)-1-aminoethyl]phenyl]-6-bromo-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 118234945
2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-dione;bis(3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene)
CID 139204020
5-bromo-4-fluoro-1-benzothiophene-7-thiol
CID 131031238
9-[4-[(1R)-1-aminopropyl]phenyl]-6-bromo-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450966

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-fluoro-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 7-bromo-6-fluoro-5H-thieno[2,3-c]quinolin-4-one (CID 177252186) is 7-bromo-6-fluoro-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 7-bromo-6-fluoro-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 7-bromo-6-fluoro-5H-thieno[2,3-c]quinolin-4-one is O=c1[nH]c2c(F)c(Br)ccc2c2ccsc12.
What is the InChIKey of 7-bromo-6-fluoro-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is AFCQBDZXOZEPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrFNOS/c12-7-2-1-5-6-3-4-16-10(6)11(15)14-9(5)8(7)13/h1-4H,(H,14,15).
What are the key properties of 7-bromo-6-fluoro-5H-thieno[2,3-c]quinolin-4-one?
7-bromo-6-fluoro-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 298.14 g/mol, XLogP of 3.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-fluoro-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 177252186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).