5,7-dimethoxy-1-propylsulfonyl-3,4-dihydro-2H-quinoline

C14H21NO4S — CID 110671604

IUPAC5,7-dimethoxy-1-propylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCCCS(=O)(=O)N1CCCc2c(OC)cc(OC)cc21
InChIInChI=1S/C14H21NO4S/c1-4-8-20(16,17)15-7-5-6-12-13(15)9-11(18-2)10-14(12)19-3/h9-10H,4-8H2,1-3H3
InChIKeyQGHUBTUDUAXFTG-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.20
Rot. Bonds5

About 5,7-dimethoxy-1-propylsulfonyl-3,4-dihydro-2H-quinoline

5,7-dimethoxy-1-propylsulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 110671604) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 5,7-dimethoxy-1-propylsulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name5,7-dimethoxy-1-propylsulfonyl-3,4-dihydro-2H-quinoline
PubChem CID110671604
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name5,7-dimethoxy-1-propylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCCCS(=O)(=O)N1CCCc2c(OC)cc(OC)cc21
InChIInChI=1S/C14H21NO4S/c1-4-8-20(16,17)15-7-5-6-12-13(15)9-11(18-2)10-14(12)19-3/h9-10H,4-8H2,1-3H3
InChIKeyQGHUBTUDUAXFTG-UHFFFAOYSA-N
XLogP2.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-5,7-dimethoxy-3,4-dihydro-2H-quinoline
CID 110671607
1-(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 110671550
5,7-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline
CID 10512521
1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline
CID 110749885
2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 27636830
6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline
CID 110714234
1-butylsulfonyl-5-methoxy-2,3-dihydroindole
CID 110714111
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 27656111
3,4-diethoxy-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27637193
1-propylsulfonyl-2,3-dihydroindole-6-carboxylic acid
CID 113382378
1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661429
7-methoxy-1-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline
CID 110749898

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-1-propylsulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 5,7-dimethoxy-1-propylsulfonyl-3,4-dihydro-2H-quinoline (CID 110671604) is 5,7-dimethoxy-1-propylsulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 5,7-dimethoxy-1-propylsulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 5,7-dimethoxy-1-propylsulfonyl-3,4-dihydro-2H-quinoline is CCCS(=O)(=O)N1CCCc2c(OC)cc(OC)cc21.
What is the InChIKey of 5,7-dimethoxy-1-propylsulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is QGHUBTUDUAXFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-4-8-20(16,17)15-7-5-6-12-13(15)9-11(18-2)10-14(12)19-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 5,7-dimethoxy-1-propylsulfonyl-3,4-dihydro-2H-quinoline?
5,7-dimethoxy-1-propylsulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 299.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-1-propylsulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 110671604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).