1-(benzenesulfonyl)-5,7-dimethoxy-3,4-dihydro-2H-quinoline

C17H19NO4S — CID 110671607

IUPAC1-(benzenesulfonyl)-5,7-dimethoxy-3,4-dihydro-2H-quinoline
SMILESCOc1cc(OC)c2c(c1)N(S(=O)(=O)c1ccccc1)CCC2
InChIInChI=1S/C17H19NO4S/c1-21-13-11-16-15(17(12-13)22-2)9-6-10-18(16)23(19,20)14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10H2,1-2H3
InChIKeyOQVULFQTDSIZIM-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.85
Rot. Bonds4

About 1-(benzenesulfonyl)-5,7-dimethoxy-3,4-dihydro-2H-quinoline

1-(benzenesulfonyl)-5,7-dimethoxy-3,4-dihydro-2H-quinoline (PubChem CID 110671607) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5,7-dimethoxy-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5,7-dimethoxy-3,4-dihydro-2H-quinoline
PubChem CID110671607
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name1-(benzenesulfonyl)-5,7-dimethoxy-3,4-dihydro-2H-quinoline
SMILESCOc1cc(OC)c2c(c1)N(S(=O)(=O)c1ccccc1)CCC2
InChIInChI=1S/C17H19NO4S/c1-21-13-11-16-15(17(12-13)22-2)9-6-10-18(16)23(19,20)14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10H2,1-2H3
InChIKeyOQVULFQTDSIZIM-UHFFFAOYSA-N
XLogP2.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dimethoxy-1-propylsulfonyl-3,4-dihydro-2H-quinoline
CID 110671604
5,7-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline
CID 10512521
4-[(5-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
CID 139013412
1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)thiourea
CID 25237388
1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine
CID 113077853
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30374549
(2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole
CID 102385769
4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide
CID 18125908
2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 27443582
1-(benzenesulfonyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-2,3-dihydroindole
CID 141206222
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3,4-dimethylbenzamide
CID 27510027
1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea
CID 46389771

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5,7-dimethoxy-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(benzenesulfonyl)-5,7-dimethoxy-3,4-dihydro-2H-quinoline (CID 110671607) is 1-(benzenesulfonyl)-5,7-dimethoxy-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(benzenesulfonyl)-5,7-dimethoxy-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(benzenesulfonyl)-5,7-dimethoxy-3,4-dihydro-2H-quinoline is COc1cc(OC)c2c(c1)N(S(=O)(=O)c1ccccc1)CCC2.
What is the InChIKey of 1-(benzenesulfonyl)-5,7-dimethoxy-3,4-dihydro-2H-quinoline?
The InChIKey is OQVULFQTDSIZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-21-13-11-16-15(17(12-13)22-2)9-6-10-18(16)23(19,20)14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-5,7-dimethoxy-3,4-dihydro-2H-quinoline?
1-(benzenesulfonyl)-5,7-dimethoxy-3,4-dihydro-2H-quinoline has a molecular weight of 333.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5,7-dimethoxy-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 110671607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).