3-(1-benzothiophene-3-carbonyl)-7-chloro-4-hydroxy-1H-quinolin-2-one

C18H10ClNO3S — CID 135462290

IUPAC3-(1-benzothiophene-3-carbonyl)-7-chloro-4-hydroxy-1H-quinolin-2-one
SMILESO=C(c1c(O)c2ccc(Cl)cc2[nH]c1=O)c1csc2ccccc12
InChIInChI=1S/C18H10ClNO3S/c19-9-5-6-11-13(7-9)20-18(23)15(16(11)21)17(22)12-8-24-14-4-2-1-3-10(12)14/h1-8H,(H2,20,21,23)
InChIKeyZAFQETJEDAJANY-UHFFFAOYSA-N
MW355.80 g/mol
LogP4.33
Rot. Bonds2

About 3-(1-benzothiophene-3-carbonyl)-7-chloro-4-hydroxy-1H-quinolin-2-one

3-(1-benzothiophene-3-carbonyl)-7-chloro-4-hydroxy-1H-quinolin-2-one (PubChem CID 135462290) has the molecular formula C18H10ClNO3S and a molecular weight of 355.80 g/mol. Its IUPAC name is 3-(1-benzothiophene-3-carbonyl)-7-chloro-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1-benzothiophene-3-carbonyl)-7-chloro-4-hydroxy-1H-quinolin-2-one
PubChem CID135462290
Molecular FormulaC18H10ClNO3S
Molecular Weight355.80 g/mol
Exact Mass355.01
IUPAC Name3-(1-benzothiophene-3-carbonyl)-7-chloro-4-hydroxy-1H-quinolin-2-one
SMILESO=C(c1c(O)c2ccc(Cl)cc2[nH]c1=O)c1csc2ccccc12
InChIInChI=1S/C18H10ClNO3S/c19-9-5-6-11-13(7-9)20-18(23)15(16(11)21)17(22)12-8-24-14-4-2-1-3-10(12)14/h1-8H,(H2,20,21,23)
InChIKeyZAFQETJEDAJANY-UHFFFAOYSA-N
XLogP4.33
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-3-(furan-2-carbonyl)-4-hydroxy-1H-quinolin-2-one
CID 54735344
1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone
CID 43161865
7-chloro-4-hydroxy-3-(3-phenyl-2-sulfanylpropanoyl)-1H-quinolin-2-one
CID 57130394
7-chloro-3-(2-chlorophenyl)sulfanyl-4-hydroxy-1H-quinolin-2-one
CID 54705006
3-chloro-5,7-dihydroindolo[2,3-c]quinolin-6-one
CID 71560083
1-benzothiophen-3-yl-(4-chloro-3-fluorophenyl)methanone
CID 107998244
7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carbonyl chloride
CID 10495745
4-(4-benzoylphenyl)-8-chloro-5-hydroxy-1H-1-benzazepine-2,3-dione
CID 18980010
7-chloro-4-hydroxy-3-(2-methylphenyl)sulfanyl-1H-quinolin-2-one
CID 54704997
7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one
CID 54689450
1-(1-benzothiophen-3-yl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 114968652
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophene-3-carbonyl)-7-chloro-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-(1-benzothiophene-3-carbonyl)-7-chloro-4-hydroxy-1H-quinolin-2-one (CID 135462290) is 3-(1-benzothiophene-3-carbonyl)-7-chloro-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-(1-benzothiophene-3-carbonyl)-7-chloro-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-(1-benzothiophene-3-carbonyl)-7-chloro-4-hydroxy-1H-quinolin-2-one is O=C(c1c(O)c2ccc(Cl)cc2[nH]c1=O)c1csc2ccccc12.
What is the InChIKey of 3-(1-benzothiophene-3-carbonyl)-7-chloro-4-hydroxy-1H-quinolin-2-one?
The InChIKey is ZAFQETJEDAJANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClNO3S/c19-9-5-6-11-13(7-9)20-18(23)15(16(11)21)17(22)12-8-24-14-4-2-1-3-10(12)14/h1-8H,(H2,20,21,23).
What are the key properties of 3-(1-benzothiophene-3-carbonyl)-7-chloro-4-hydroxy-1H-quinolin-2-one?
3-(1-benzothiophene-3-carbonyl)-7-chloro-4-hydroxy-1H-quinolin-2-one has a molecular weight of 355.80 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophene-3-carbonyl)-7-chloro-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 135462290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).