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

C15H9NO2S — CID 118717514

IUPAC3-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one
SMILESO=c1[nH]c2cc(O)ccc2c2c1sc1ccccc12
InChIInChI=1S/C15H9NO2S/c17-8-5-6-9-11(7-8)16-15(18)14-13(9)10-3-1-2-4-12(10)19-14/h1-7,17H,(H,16,18)
InChIKeyOCMLTGANJQJNMX-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.60
Rot. Bonds

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

3-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one (PubChem CID 118717514) has the molecular formula C15H9NO2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one.

Molecular Properties

Compound Name3-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one
PubChem CID118717514
Molecular FormulaC15H9NO2S
Molecular Weight267.31 g/mol
Exact Mass267.04
IUPAC Name3-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one
SMILESO=c1[nH]c2cc(O)ccc2c2c1sc1ccccc12
InChIInChI=1S/C15H9NO2S/c17-8-5-6-9-11(7-8)16-15(18)14-13(9)10-3-1-2-4-12(10)19-14/h1-7,17H,(H,16,18)
InChIKeyOCMLTGANJQJNMX-UHFFFAOYSA-N
XLogP3.60
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one
CID 5091486
N-(2-hydroxy-5-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 44454621
3,10-dimethoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one
CID 21795035
10-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one
CID 118717513
N-(3-Hydroxyphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 597004
9-(3-fluoro-4-hydroxyphenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 53472576
4,5-bis(4-hydroxyphenyl)-N-phenylthiophene-2-carboxamide
CID 129845370
4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 78821511
4-fluoro-N-(3-hydroxyphenyl)-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 78823758
6-fluoro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 78911893
6-fluoro-N-(3-hydroxy-2-methylphenyl)-1-benzothiophene-2-carboxamide
CID 81116481
6-fluoro-N-(3-hydroxy-4-methylphenyl)-1-benzothiophene-2-carboxamide
CID 81116482

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one?
The IUPAC name of 3-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one (CID 118717514) is 3-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one.
What is the SMILES notation for 3-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one?
The canonical SMILES for 3-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one is O=c1[nH]c2cc(O)ccc2c2c1sc1ccccc12.
What is the InChIKey of 3-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one?
The InChIKey is OCMLTGANJQJNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO2S/c17-8-5-6-9-11(7-8)16-15(18)14-13(9)10-3-1-2-4-12(10)19-14/h1-7,17H,(H,16,18).
What are the key properties of 3-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one?
3-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one has a molecular weight of 267.31 g/mol, XLogP of 3.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one is sourced from PubChem (CID 118717514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).