6,7-dimethoxy-1-methylsulfonyl-2-phenyl-2H-quinoline

C18H19NO4S — CID 101465786

IUPAC6,7-dimethoxy-1-methylsulfonyl-2-phenyl-2H-quinoline
SMILESCOc1cc2c(cc1OC)N(S(C)(=O)=O)C(c1ccccc1)C=C2
InChIInChI=1S/C18H19NO4S/c1-22-17-11-14-9-10-15(13-7-5-4-6-8-13)19(24(3,20)21)16(14)12-18(17)23-2/h4-12,15H,1-3H3
InChIKeyWRKLFQDQYWLZTJ-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.24
Rot. Bonds4

About 6,7-dimethoxy-1-methylsulfonyl-2-phenyl-2H-quinoline

6,7-dimethoxy-1-methylsulfonyl-2-phenyl-2H-quinoline (PubChem CID 101465786) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methylsulfonyl-2-phenyl-2H-quinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-methylsulfonyl-2-phenyl-2H-quinoline
PubChem CID101465786
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name6,7-dimethoxy-1-methylsulfonyl-2-phenyl-2H-quinoline
SMILESCOc1cc2c(cc1OC)N(S(C)(=O)=O)C(c1ccccc1)C=C2
InChIInChI=1S/C18H19NO4S/c1-22-17-11-14-9-10-15(13-7-5-4-6-8-13)19(24(3,20)21)16(14)12-18(17)23-2/h4-12,15H,1-3H3
InChIKeyWRKLFQDQYWLZTJ-UHFFFAOYSA-N
XLogP3.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-methylsulfonyl-2-phenyl-2H-quinoline?
The IUPAC name of 6,7-dimethoxy-1-methylsulfonyl-2-phenyl-2H-quinoline (CID 101465786) is 6,7-dimethoxy-1-methylsulfonyl-2-phenyl-2H-quinoline.
What is the SMILES notation for 6,7-dimethoxy-1-methylsulfonyl-2-phenyl-2H-quinoline?
The canonical SMILES for 6,7-dimethoxy-1-methylsulfonyl-2-phenyl-2H-quinoline is COc1cc2c(cc1OC)N(S(C)(=O)=O)C(c1ccccc1)C=C2.
What is the InChIKey of 6,7-dimethoxy-1-methylsulfonyl-2-phenyl-2H-quinoline?
The InChIKey is WRKLFQDQYWLZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-22-17-11-14-9-10-15(13-7-5-4-6-8-13)19(24(3,20)21)16(14)12-18(17)23-2/h4-12,15H,1-3H3.
What are the key properties of 6,7-dimethoxy-1-methylsulfonyl-2-phenyl-2H-quinoline?
6,7-dimethoxy-1-methylsulfonyl-2-phenyl-2H-quinoline has a molecular weight of 345.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-methylsulfonyl-2-phenyl-2H-quinoline is sourced from PubChem (CID 101465786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).