1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline

C17H19NO3S — CID 110663002

IUPAC1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC(C)C2
InChIInChI=1S/C17H19NO3S/c1-13-10-14-8-9-15(21-2)11-17(14)18(12-13)22(19,20)16-6-4-3-5-7-16/h3-9,11,13H,10,12H2,1-2H3
InChIKeyLGAQIAMEKPRMHU-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.08
Rot. Bonds3

About 1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline

1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline (PubChem CID 110663002) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
PubChem CID110663002
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC(C)C2
InChIInChI=1S/C17H19NO3S/c1-13-10-14-8-9-15(21-2)11-17(14)18(12-13)22(19,20)16-6-4-3-5-7-16/h3-9,11,13H,10,12H2,1-2H3
InChIKeyLGAQIAMEKPRMHU-UHFFFAOYSA-N
XLogP3.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide
CID 110663008
1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
CID 110663004
5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one
CID 110663091
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 110602519
1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110662982
2-[1-(benzenesulfonyl)-5-methoxy-2,3-dihydroindol-3-yl]acetic acid
CID 70891893
8-methoxy-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-4-ol
CID 10712674
1-(benzenesulfonyl)-3-methyl-6-phenylmethoxy-2,3-dihydroindole
CID 10054281
1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one
CID 595498
3-[1-(benzenesulfonyl)-5-methoxy-2,3-dihydroindol-3-yl]propanoic acid
CID 70891868
1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione
CID 110415887
1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one
CID 110662965

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline (CID 110663002) is 1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline is COc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC(C)C2.
What is the InChIKey of 1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is LGAQIAMEKPRMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13-10-14-8-9-15(21-2)11-17(14)18(12-13)22(19,20)16-6-4-3-5-7-16/h3-9,11,13H,10,12H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline?
1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 317.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 110663002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).