1-(2,4-dimethoxyphenyl)-2-quinolin-2-ylsulfanylethanone

C19H17NO3S — CID 7755035

IUPAC1-(2,4-dimethoxyphenyl)-2-quinolin-2-ylsulfanylethanone
SMILESCOc1ccc(C(=O)CSc2ccc3ccccc3n2)c(OC)c1
InChIInChI=1S/C19H17NO3S/c1-22-14-8-9-15(18(11-14)23-2)17(21)12-24-19-10-7-13-5-3-4-6-16(13)20-19/h3-11H,12H2,1-2H3
InChIKeySAHZEFNCXHYBHI-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.23
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-2-quinolin-2-ylsulfanylethanone

1-(2,4-dimethoxyphenyl)-2-quinolin-2-ylsulfanylethanone (PubChem CID 7755035) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-quinolin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-quinolin-2-ylsulfanylethanone
PubChem CID7755035
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name1-(2,4-dimethoxyphenyl)-2-quinolin-2-ylsulfanylethanone
SMILESCOc1ccc(C(=O)CSc2ccc3ccccc3n2)c(OC)c1
InChIInChI=1S/C19H17NO3S/c1-22-14-8-9-15(18(11-14)23-2)17(21)12-24-19-10-7-13-5-3-4-6-16(13)20-19/h3-11H,12H2,1-2H3
InChIKeySAHZEFNCXHYBHI-UHFFFAOYSA-N
XLogP4.23
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dimethoxyphenyl)-2-quinolin-2-ylsulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 51214703
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2,4-dimethoxyphenyl)ethanone
CID 2647989
2-tert-butylsulfanyl-1-(2,4-dimethoxyphenyl)ethanone
CID 60645739
2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one
CID 3876568
1-(2,4-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 71942192
2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 2575420
5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide
CID 7754724
N-[(3-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
CID 1043414
N-(5-chloro-2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755341
1-(2,4-dimethoxyphenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 4815504
2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2,4-dimethoxyphenyl)ethanone
CID 18099111
1-(2,4-dimethoxyphenyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 7420034

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-quinolin-2-ylsulfanylethanone?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-quinolin-2-ylsulfanylethanone (CID 7755035) is 1-(2,4-dimethoxyphenyl)-2-quinolin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-quinolin-2-ylsulfanylethanone?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-quinolin-2-ylsulfanylethanone is COc1ccc(C(=O)CSc2ccc3ccccc3n2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-quinolin-2-ylsulfanylethanone?
The InChIKey is SAHZEFNCXHYBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-22-14-8-9-15(18(11-14)23-2)17(21)12-24-19-10-7-13-5-3-4-6-16(13)20-19/h3-11H,12H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-quinolin-2-ylsulfanylethanone?
1-(2,4-dimethoxyphenyl)-2-quinolin-2-ylsulfanylethanone has a molecular weight of 339.42 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-quinolin-2-ylsulfanylethanone is sourced from PubChem (CID 7755035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).