3-(3,4-dimethoxyphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one

C18H17NO6S — CID 22425109

IUPAC3-(3,4-dimethoxyphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one
SMILESCOc1ccc2[nH]cc(S(=O)(=O)c3ccc(OC)c(OC)c3)c(=O)c2c1
InChIInChI=1S/C18H17NO6S/c1-23-11-4-6-14-13(8-11)18(20)17(10-19-14)26(21,22)12-5-7-15(24-2)16(9-12)25-3/h4-10H,1-3H3,(H,19,20)
InChIKeyAGCVVCXGSXOYQR-UHFFFAOYSA-N
MW375.40 g/mol
LogP2.39
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one

3-(3,4-dimethoxyphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one (PubChem CID 22425109) has the molecular formula C18H17NO6S and a molecular weight of 375.40 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one
PubChem CID22425109
Molecular FormulaC18H17NO6S
Molecular Weight375.40 g/mol
Exact Mass375.08
IUPAC Name3-(3,4-dimethoxyphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one
SMILESCOc1ccc2[nH]cc(S(=O)(=O)c3ccc(OC)c(OC)c3)c(=O)c2c1
InChIInChI=1S/C18H17NO6S/c1-23-11-4-6-14-13(8-11)18(20)17(10-19-14)26(21,22)12-5-7-15(24-2)16(9-12)25-3/h4-10H,1-3H3,(H,19,20)
InChIKeyAGCVVCXGSXOYQR-UHFFFAOYSA-N
XLogP2.39
TPSA94.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3,4-dimethoxyphenyl)sulfonyl-6-methoxy-1H-quinolin-4-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-ethyl-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one
CID 2137956
8-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one
CID 163347228
6-ethoxy-3-(4-ethylphenyl)sulfonyl-1H-quinolin-4-one
CID 18590251
7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one
CID 22425128
3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one
CID 2136458
3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one
CID 22425158
1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene
CID 132609518
3-chloro-4-(5-methoxy-1H-indol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480665
2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene
CID 132609514
6,7-dimethoxy-N-methyl-4-oxo-1H-quinoline-3-sulfonamide
CID 70408239
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one
CID 167344437

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one (CID 22425109) is 3-(3,4-dimethoxyphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one is COc1ccc2[nH]cc(S(=O)(=O)c3ccc(OC)c(OC)c3)c(=O)c2c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one?
The InChIKey is AGCVVCXGSXOYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6S/c1-23-11-4-6-14-13(8-11)18(20)17(10-19-14)26(21,22)12-5-7-15(24-2)16(9-12)25-3/h4-10H,1-3H3,(H,19,20).
What are the key properties of 3-(3,4-dimethoxyphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one?
3-(3,4-dimethoxyphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one has a molecular weight of 375.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 22425109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).