5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one

C19H20N2O4S — CID 110663091

IUPAC5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one
SMILESCOc1ccc2c(c1)CC(C)CN2S(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C19H20N2O4S/c1-12-7-14-8-15(25-2)3-6-18(14)21(11-12)26(23,24)16-4-5-17-13(9-16)10-19(22)20-17/h3-6,8-9,12H,7,10-11H2,1-2H3,(H,20,22)
InChIKeyGANQCAJGPXNLJN-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.58
Rot. Bonds3

About 5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one

5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one (PubChem CID 110663091) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one
PubChem CID110663091
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one
SMILESCOc1ccc2c(c1)CC(C)CN2S(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C19H20N2O4S/c1-12-7-14-8-15(25-2)3-6-18(14)21(11-12)26(23,24)16-4-5-17-13(9-16)10-19(22)20-17/h3-6,8-9,12H,7,10-11H2,1-2H3,(H,20,22)
InChIKeyGANQCAJGPXNLJN-UHFFFAOYSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
CID 110663002
5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
CID 126793094
1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
CID 110663004
5-methoxy-1,3-dihydroindol-2-one;2,2,2-trichloroethane-1,1-diol
CID 158837669
5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110662434
5-[(3-methoxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one
CID 18179648
N-[4-[(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide
CID 110663008
5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110707877
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one
CID 110867929
5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)sulfonyl]-1,3-dihydroindol-2-one
CID 113089377
5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydroindol-2-one
CID 21071905
5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one
CID 9184637

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one (CID 110663091) is 5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one is COc1ccc2c(c1)CC(C)CN2S(=O)(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one?
The InChIKey is GANQCAJGPXNLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-12-7-14-8-15(25-2)3-6-18(14)21(11-12)26(23,24)16-4-5-17-13(9-16)10-19(22)20-17/h3-6,8-9,12H,7,10-11H2,1-2H3,(H,20,22).
What are the key properties of 5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one?
5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one has a molecular weight of 372.45 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 110663091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).