1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one

C18H19NO6S — CID 110635273

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C18H19NO6S/c1-23-12-4-6-15-14(10-12)16(20)8-9-19(15)26(21,22)18-11-13(24-2)5-7-17(18)25-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyITJIGYOIVLKMEE-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.49
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one

1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one (PubChem CID 110635273) has the molecular formula C18H19NO6S and a molecular weight of 377.42 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
PubChem CID110635273
Molecular FormulaC18H19NO6S
Molecular Weight377.42 g/mol
Exact Mass377.09
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C18H19NO6S/c1-23-12-4-6-15-14(10-12)16(20)8-9-19(15)26(21,22)18-11-13(24-2)5-7-17(18)25-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyITJIGYOIVLKMEE-UHFFFAOYSA-N
XLogP2.49
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chloro-2-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
CID 110406671
6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635279
1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635300
6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one
CID 110406799
5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole
CID 110714127
7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635683
1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole
CID 3852643
7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 10568487
1-(3-chloro-4-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
CID 110635146
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721462
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one (CID 110635273) is 1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one is COc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one?
The InChIKey is ITJIGYOIVLKMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6S/c1-23-12-4-6-15-14(10-12)16(20)8-9-19(15)26(21,22)18-11-13(24-2)5-7-17(18)25-3/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one?
1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one has a molecular weight of 377.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110635273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).