1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one

C18H17NO6S — CID 110635399

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1cccc2c1N(S(=O)(=O)c1ccc3c(c1)OCCO3)CCC2=O
InChIInChI=1S/C18H17NO6S/c1-23-16-4-2-3-13-14(20)7-8-19(18(13)16)26(21,22)12-5-6-15-17(11-12)25-10-9-24-15/h2-6,11H,7-10H2,1H3
InChIKeyBITDLKUDVVVIHG-UHFFFAOYSA-N
MW375.40 g/mol
LogP2.25
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one (PubChem CID 110635399) has the molecular formula C18H17NO6S and a molecular weight of 375.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one
PubChem CID110635399
Molecular FormulaC18H17NO6S
Molecular Weight375.40 g/mol
Exact Mass375.08
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1cccc2c1N(S(=O)(=O)c1ccc3c(c1)OCCO3)CCC2=O
InChIInChI=1S/C18H17NO6S/c1-23-16-4-2-3-13-14(20)7-8-19(18(13)16)26(21,22)12-5-6-15-17(11-12)25-10-9-24-15/h2-6,11H,7-10H2,1H3
InChIKeyBITDLKUDVVVIHG-UHFFFAOYSA-N
XLogP2.25
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one with MolForge

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Related Compounds

1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635382
1-(1,3-benzodioxol-5-ylsulfonyl)-8-methyl-2,3-dihydroquinolin-4-one
CID 110635542
8-methoxy-1-methylsulfonyl-2,3-dihydroquinolin-4-one
CID 110635377
1-(1,3-benzodioxol-5-ylsulfonyl)-2,3-dihydroquinolin-4-one
CID 110424789
8-methoxy-1-thiophen-2-ylsulfonyl-2,3-dihydroquinolin-4-one
CID 110635402
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole
CID 56800307
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110604097
1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110406441
7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635683
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 6499996
5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-2-methoxyaniline
CID 71493050
1-(3-chloro-4-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
CID 110635146

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one (CID 110635399) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one is COc1cccc2c1N(S(=O)(=O)c1ccc3c(c1)OCCO3)CCC2=O.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one?
The InChIKey is BITDLKUDVVVIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6S/c1-23-16-4-2-3-13-14(20)7-8-19(18(13)16)26(21,22)12-5-6-15-17(11-12)25-10-9-24-15/h2-6,11H,7-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one?
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one has a molecular weight of 375.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110635399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).