4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)-1H-quinolin-2-one

C15H11NO3S — CID 139646774

IUPAC4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(C(=O)c3cccs3)c(O)c2c1
InChIInChI=1S/C15H11NO3S/c1-8-4-5-10-9(7-8)13(17)12(15(19)16-10)14(18)11-3-2-6-20-11/h2-7H,1H3,(H2,16,17,19)
InChIKeyUIMIIUQOQJYQKV-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.83
Rot. Bonds2

About 4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)-1H-quinolin-2-one

4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)-1H-quinolin-2-one (PubChem CID 139646774) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)-1H-quinolin-2-one
PubChem CID139646774
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(C(=O)c3cccs3)c(O)c2c1
InChIInChI=1S/C15H11NO3S/c1-8-4-5-10-9(7-8)13(17)12(15(19)16-10)14(18)11-3-2-6-20-11/h2-7H,1H3,(H2,16,17,19)
InChIKeyUIMIIUQOQJYQKV-UHFFFAOYSA-N
XLogP2.83
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone
CID 13404184
[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 84580370
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)thiophene-2-carboxamide
CID 1388799
N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 1396662
butane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 143489828
3-[(benzyldiazenyl)methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one
CID 123829287
3-[[benzyl(methyl)amino]methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one
CID 54710237
2,7-dimethylnaphthalene;2,7-dimethylnaphthalen-1-ol;4-hydroxy-3,6-dimethyl-1H-quinolin-2-one
CID 142859644
2,7-dimethyl-10H-acridin-9-one
CID 13293445
N-[(Z)-(4-hydroxy-6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 136774436
3-ethenyl-6-methyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 13445599
4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid
CID 135568407

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)-1H-quinolin-2-one (CID 139646774) is 4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(C(=O)c3cccs3)c(O)c2c1.
What is the InChIKey of 4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)-1H-quinolin-2-one?
The InChIKey is UIMIIUQOQJYQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c1-8-4-5-10-9(7-8)13(17)12(15(19)16-10)14(18)11-3-2-6-20-11/h2-7H,1H3,(H2,16,17,19).
What are the key properties of 4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)-1H-quinolin-2-one?
4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)-1H-quinolin-2-one has a molecular weight of 285.32 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)-1H-quinolin-2-one is sourced from PubChem (CID 139646774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).