1-ethyl-4-(4-hydroxybut-2-ynylsulfanyl)quinolin-2-one

C15H15NO2S — CID 12014781

IUPAC1-ethyl-4-(4-hydroxybut-2-ynylsulfanyl)quinolin-2-one
SMILESCCn1c(=O)cc(SCC#CCO)c2ccccc21
InChIInChI=1S/C15H15NO2S/c1-2-16-13-8-4-3-7-12(13)14(11-15(16)18)19-10-6-5-9-17/h3-4,7-8,11,17H,2,9-10H2,1H3
InChIKeyUVHJJSHSPSBICP-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.11
Rot. Bonds3

About 1-ethyl-4-(4-hydroxybut-2-ynylsulfanyl)quinolin-2-one

1-ethyl-4-(4-hydroxybut-2-ynylsulfanyl)quinolin-2-one (PubChem CID 12014781) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-ethyl-4-(4-hydroxybut-2-ynylsulfanyl)quinolin-2-one.

Molecular Properties

Compound Name1-ethyl-4-(4-hydroxybut-2-ynylsulfanyl)quinolin-2-one
PubChem CID12014781
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name1-ethyl-4-(4-hydroxybut-2-ynylsulfanyl)quinolin-2-one
SMILESCCn1c(=O)cc(SCC#CCO)c2ccccc21
InChIInChI=1S/C15H15NO2S/c1-2-16-13-8-4-3-7-12(13)14(11-15(16)18)19-10-6-5-9-17/h3-4,7-8,11,17H,2,9-10H2,1H3
InChIKeyUVHJJSHSPSBICP-UHFFFAOYSA-N
XLogP2.11
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 3244915
2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 20864344
N-(4-acetylphenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide
CID 22334574
N-(2,4-difluorophenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide
CID 20864343
1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one
CID 20864364
4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1-ethylquinolin-2-one
CID 20864385
2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 22334549
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099
4-(4-chlorobenzoyl)-1-ethylquinolin-2-one
CID 134910716
5-ethylindeno[1,2-b]carbazol-11-one
CID 135020105
1-ethyl-5-hydroxyquinolin-2-one
CID 70394482
4-chloro-1-(2-methylpropyl)quinolin-2-one
CID 129452941

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-hydroxybut-2-ynylsulfanyl)quinolin-2-one?
The IUPAC name of 1-ethyl-4-(4-hydroxybut-2-ynylsulfanyl)quinolin-2-one (CID 12014781) is 1-ethyl-4-(4-hydroxybut-2-ynylsulfanyl)quinolin-2-one.
What is the SMILES notation for 1-ethyl-4-(4-hydroxybut-2-ynylsulfanyl)quinolin-2-one?
The canonical SMILES for 1-ethyl-4-(4-hydroxybut-2-ynylsulfanyl)quinolin-2-one is CCn1c(=O)cc(SCC#CCO)c2ccccc21.
What is the InChIKey of 1-ethyl-4-(4-hydroxybut-2-ynylsulfanyl)quinolin-2-one?
The InChIKey is UVHJJSHSPSBICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-2-16-13-8-4-3-7-12(13)14(11-15(16)18)19-10-6-5-9-17/h3-4,7-8,11,17H,2,9-10H2,1H3.
What are the key properties of 1-ethyl-4-(4-hydroxybut-2-ynylsulfanyl)quinolin-2-one?
1-ethyl-4-(4-hydroxybut-2-ynylsulfanyl)quinolin-2-one has a molecular weight of 273.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-hydroxybut-2-ynylsulfanyl)quinolin-2-one is sourced from PubChem (CID 12014781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).