1-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylethanone

C19H17NO2S — CID 112781068

IUPAC1-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylethanone
SMILESCCOc1ccc(C(=O)CSc2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H17NO2S/c1-2-22-16-10-7-15(8-11-16)18(21)13-23-19-12-9-14-5-3-4-6-17(14)20-19/h3-12H,2,13H2,1H3
InChIKeyQDNZCSQPJBJVCQ-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.61
Rot. Bonds6

About 1-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylethanone

1-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylethanone (PubChem CID 112781068) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylethanone
PubChem CID112781068
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name1-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylethanone
SMILESCCOc1ccc(C(=O)CSc2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H17NO2S/c1-2-22-16-10-7-15(8-11-16)18(21)13-23-19-12-9-14-5-3-4-6-17(14)20-19/h3-12H,2,13H2,1H3
InChIKeyQDNZCSQPJBJVCQ-UHFFFAOYSA-N
XLogP4.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-3-ethylquinazolin-4-one
CID 7558965
1-(2,4-dimethoxyphenyl)-2-quinolin-2-ylsulfanylethanone
CID 7755035
2-quinolin-2-ylsulfanylacetamide
CID 2056006
N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755135
(4-ethoxyphenyl) quinoline-2-carboxylate
CID 1231895
3-[(2S)-butan-2-yl]-2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 7428188
2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
CID 16533078
1-(3-nitrophenyl)-2-quinolin-2-ylsulfanylethanone
CID 112802330
N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide
CID 7754818
1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone
CID 55463619
N-ethyl-N-(2-methylprop-2-enyl)-2-quinolin-2-ylsulfanylacetamide
CID 78761780
1-(4-ethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 51889233

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylethanone?
The IUPAC name of 1-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylethanone (CID 112781068) is 1-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylethanone?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylethanone is CCOc1ccc(C(=O)CSc2ccc3ccccc3n2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylethanone?
The InChIKey is QDNZCSQPJBJVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-2-22-16-10-7-15(8-11-16)18(21)13-23-19-12-9-14-5-3-4-6-17(14)20-19/h3-12H,2,13H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylethanone?
1-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylethanone has a molecular weight of 323.42 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylethanone is sourced from PubChem (CID 112781068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).