1-(1,3-benzodioxol-5-ylsulfonyl)-8-methyl-2,3-dihydroquinolin-4-one

C17H15NO5S — CID 110635542

IUPAC1-(1,3-benzodioxol-5-ylsulfonyl)-8-methyl-2,3-dihydroquinolin-4-one
SMILESCc1cccc2c1N(S(=O)(=O)c1ccc3c(c1)OCO3)CCC2=O
InChIInChI=1S/C17H15NO5S/c1-11-3-2-4-13-14(19)7-8-18(17(11)13)24(20,21)12-5-6-15-16(9-12)23-10-22-15/h2-6,9H,7-8,10H2,1H3
InChIKeyGNUMTHMIVPBOMR-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.51
Rot. Bonds2

About 1-(1,3-benzodioxol-5-ylsulfonyl)-8-methyl-2,3-dihydroquinolin-4-one

1-(1,3-benzodioxol-5-ylsulfonyl)-8-methyl-2,3-dihydroquinolin-4-one (PubChem CID 110635542) has the molecular formula C17H15NO5S and a molecular weight of 345.38 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylsulfonyl)-8-methyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylsulfonyl)-8-methyl-2,3-dihydroquinolin-4-one
PubChem CID110635542
Molecular FormulaC17H15NO5S
Molecular Weight345.38 g/mol
Exact Mass345.07
IUPAC Name1-(1,3-benzodioxol-5-ylsulfonyl)-8-methyl-2,3-dihydroquinolin-4-one
SMILESCc1cccc2c1N(S(=O)(=O)c1ccc3c(c1)OCO3)CCC2=O
InChIInChI=1S/C17H15NO5S/c1-11-3-2-4-13-14(19)7-8-18(17(11)13)24(20,21)12-5-6-15-16(9-12)23-10-22-15/h2-6,9H,7-8,10H2,1H3
InChIKeyGNUMTHMIVPBOMR-UHFFFAOYSA-N
XLogP2.51
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-ylsulfonyl)-2,3-dihydroquinolin-4-one
CID 110424789
1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110406441
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635399
1-[4-[(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione
CID 110635566
1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 110714208
1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635382
1-(1,3-benzodioxol-5-ylsulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline
CID 110669805
1-(1,3-benzodioxol-5-ylsulfonyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996322
1-(1,3-benzodioxol-5-ylsulfonyl)-4-methyl-3,4-dihydro-2H-quinoline
CID 110737850
4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one
CID 110667520
6-(1,3-benzodioxol-5-ylsulfonyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 110601698
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine
CID 113075406

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-8-methyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-8-methyl-2,3-dihydroquinolin-4-one (CID 110635542) is 1-(1,3-benzodioxol-5-ylsulfonyl)-8-methyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylsulfonyl)-8-methyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylsulfonyl)-8-methyl-2,3-dihydroquinolin-4-one is Cc1cccc2c1N(S(=O)(=O)c1ccc3c(c1)OCO3)CCC2=O.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylsulfonyl)-8-methyl-2,3-dihydroquinolin-4-one?
The InChIKey is GNUMTHMIVPBOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5S/c1-11-3-2-4-13-14(19)7-8-18(17(11)13)24(20,21)12-5-6-15-16(9-12)23-10-22-15/h2-6,9H,7-8,10H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-ylsulfonyl)-8-methyl-2,3-dihydroquinolin-4-one?
1-(1,3-benzodioxol-5-ylsulfonyl)-8-methyl-2,3-dihydroquinolin-4-one has a molecular weight of 345.38 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylsulfonyl)-8-methyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110635542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).