1-[2-(2,4-dichlorophenoxy)acetyl]-6-methyl-1,2-dihydrothieno[3,2-f]quinolin-7-one

C20H15Cl2NO3S — CID 10949826

IUPAC1-[2-(2,4-dichlorophenoxy)acetyl]-6-methyl-1,2-dihydrothieno[3,2-f]quinolin-7-one
SMILESCn1c(=O)ccc2c3c(ccc21)SCC3C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl2NO3S/c1-23-15-4-6-18-20(12(15)3-7-19(23)25)13(10-27-18)16(24)9-26-17-5-2-11(21)8-14(17)22/h2-8,13H,9-10H2,1H3
InChIKeyQJMCGGYAYMGISS-UHFFFAOYSA-N
MW420.32 g/mol
LogP4.68
Rot. Bonds4

About 1-[2-(2,4-dichlorophenoxy)acetyl]-6-methyl-1,2-dihydrothieno[3,2-f]quinolin-7-one

1-[2-(2,4-dichlorophenoxy)acetyl]-6-methyl-1,2-dihydrothieno[3,2-f]quinolin-7-one (PubChem CID 10949826) has the molecular formula C20H15Cl2NO3S and a molecular weight of 420.32 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)acetyl]-6-methyl-1,2-dihydrothieno[3,2-f]quinolin-7-one.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)acetyl]-6-methyl-1,2-dihydrothieno[3,2-f]quinolin-7-one
PubChem CID10949826
Molecular FormulaC20H15Cl2NO3S
Molecular Weight420.32 g/mol
Exact Mass419.01
IUPAC Name1-[2-(2,4-dichlorophenoxy)acetyl]-6-methyl-1,2-dihydrothieno[3,2-f]quinolin-7-one
SMILESCn1c(=O)ccc2c3c(ccc21)SCC3C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl2NO3S/c1-23-15-4-6-18-20(12(15)3-7-19(23)25)13(10-27-18)16(24)9-26-17-5-2-11(21)8-14(17)22/h2-8,13H,9-10H2,1H3
InChIKeyQJMCGGYAYMGISS-UHFFFAOYSA-N
XLogP4.68
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.32
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2,4-dichlorophenoxy)acetyl]-6-methyl-1,2-dihydrothieno[3,2-f]quinolin-7-one 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

6-methyl-1-[2-(4-methylphenoxy)acetyl]-1,2-dihydrothieno[3,2-f]quinolin-7-one
CID 15367217
1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone
CID 113220137
2-(2,4-dichlorophenoxy)-1-(2-hydroxy-1-methylindol-3-yl)ethanone
CID 170771181
2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 110707765
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 3262118
2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
CID 16883357
2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 110830692
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 71808607
(3R)-7-[3-(2,4-dichlorophenoxy)propyl]-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
CID 24937317
2-(2,4-dichlorophenoxy)-N-(1-methylbenzimidazol-2-yl)acetamide
CID 35280310

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)acetyl]-6-methyl-1,2-dihydrothieno[3,2-f]quinolin-7-one?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)acetyl]-6-methyl-1,2-dihydrothieno[3,2-f]quinolin-7-one (CID 10949826) is 1-[2-(2,4-dichlorophenoxy)acetyl]-6-methyl-1,2-dihydrothieno[3,2-f]quinolin-7-one.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)acetyl]-6-methyl-1,2-dihydrothieno[3,2-f]quinolin-7-one?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)acetyl]-6-methyl-1,2-dihydrothieno[3,2-f]quinolin-7-one is Cn1c(=O)ccc2c3c(ccc21)SCC3C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)acetyl]-6-methyl-1,2-dihydrothieno[3,2-f]quinolin-7-one?
The InChIKey is QJMCGGYAYMGISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO3S/c1-23-15-4-6-18-20(12(15)3-7-19(23)25)13(10-27-18)16(24)9-26-17-5-2-11(21)8-14(17)22/h2-8,13H,9-10H2,1H3.
What are the key properties of 1-[2-(2,4-dichlorophenoxy)acetyl]-6-methyl-1,2-dihydrothieno[3,2-f]quinolin-7-one?
1-[2-(2,4-dichlorophenoxy)acetyl]-6-methyl-1,2-dihydrothieno[3,2-f]quinolin-7-one has a molecular weight of 420.32 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenoxy)acetyl]-6-methyl-1,2-dihydrothieno[3,2-f]quinolin-7-one is sourced from PubChem (CID 10949826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).