2,11-difluoro-5H-[1]benzothiolo[2,3-c]quinolin-6-one

C15H7F2NOS — CID 14872491

IUPAC2,11-difluoro-5H-[1]benzothiolo[2,3-c]quinolin-6-one
SMILESO=c1[nH]c2ccc(F)cc2c2c1sc1cccc(F)c12
InChIInChI=1S/C15H7F2NOS/c16-7-4-5-10-8(6-7)12-13-9(17)2-1-3-11(13)20-14(12)15(19)18-10/h1-6H,(H,18,19)
InChIKeyMVFBWSYOPNHBTC-UHFFFAOYSA-N
MW287.29 g/mol
LogP4.17
Rot. Bonds

About 2,11-difluoro-5H-[1]benzothiolo[2,3-c]quinolin-6-one

2,11-difluoro-5H-[1]benzothiolo[2,3-c]quinolin-6-one (PubChem CID 14872491) has the molecular formula C15H7F2NOS and a molecular weight of 287.29 g/mol. Its IUPAC name is 2,11-difluoro-5H-[1]benzothiolo[2,3-c]quinolin-6-one.

Molecular Properties

Compound Name2,11-difluoro-5H-[1]benzothiolo[2,3-c]quinolin-6-one
PubChem CID14872491
Molecular FormulaC15H7F2NOS
Molecular Weight287.29 g/mol
Exact Mass287.02
IUPAC Name2,11-difluoro-5H-[1]benzothiolo[2,3-c]quinolin-6-one
SMILESO=c1[nH]c2ccc(F)cc2c2c1sc1cccc(F)c12
InChIInChI=1S/C15H7F2NOS/c16-7-4-5-10-8(6-7)12-13-9(17)2-1-3-11(13)20-14(12)15(19)18-10/h1-6H,(H,18,19)
InChIKeyMVFBWSYOPNHBTC-UHFFFAOYSA-N
XLogP4.17
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 54.17
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
10-chloro-5H-thiochromeno[2,3-c]quinoline-6,12-dione
CID 90646445
3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one
CID 54703199
7-fluoro-9-oxothioxanthene-4-carboxylic acid
CID 22917224
2-fluoro-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 58939138
6-fluoro-4-hydroxy-3-propan-2-yl-1H-quinolin-2-one
CID 54678717
7-fluoro-2,4-dihydro-1H-cyclopenta[b]indol-3-one
CID 51052054
5-fluoro-2-oxo-1H-quinoline-3-carbaldehyde
CID 141308014
4-fluorothioxanthen-9-one
CID 54319807
6-fluoro-3-methyl-9H-carbazole-1,4-dione
CID 14831887
8-fluoro-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one
CID 175939537
4-(difluoromethyl)-6-fluoro-1H-quinolin-2-one
CID 112757555

Frequently Asked Questions

What is the IUPAC name of 2,11-difluoro-5H-[1]benzothiolo[2,3-c]quinolin-6-one?
The IUPAC name of 2,11-difluoro-5H-[1]benzothiolo[2,3-c]quinolin-6-one (CID 14872491) is 2,11-difluoro-5H-[1]benzothiolo[2,3-c]quinolin-6-one.
What is the SMILES notation for 2,11-difluoro-5H-[1]benzothiolo[2,3-c]quinolin-6-one?
The canonical SMILES for 2,11-difluoro-5H-[1]benzothiolo[2,3-c]quinolin-6-one is O=c1[nH]c2ccc(F)cc2c2c1sc1cccc(F)c12.
What is the InChIKey of 2,11-difluoro-5H-[1]benzothiolo[2,3-c]quinolin-6-one?
The InChIKey is MVFBWSYOPNHBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F2NOS/c16-7-4-5-10-8(6-7)12-13-9(17)2-1-3-11(13)20-14(12)15(19)18-10/h1-6H,(H,18,19).
What are the key properties of 2,11-difluoro-5H-[1]benzothiolo[2,3-c]quinolin-6-one?
2,11-difluoro-5H-[1]benzothiolo[2,3-c]quinolin-6-one has a molecular weight of 287.29 g/mol, XLogP of 4.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,11-difluoro-5H-[1]benzothiolo[2,3-c]quinolin-6-one is sourced from PubChem (CID 14872491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).