8-methyl-4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline-3-carboxamide

C24H20N2O4S — CID 46225245

IUPAC8-methyl-4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline-3-carboxamide
SMILESCc1cccc2c(-c3cccc(Oc4cccc(S(C)(=O)=O)c4)c3)c(C(N)=O)cnc12
InChIInChI=1S/C24H20N2O4S/c1-15-6-3-11-20-22(21(24(25)27)14-26-23(15)20)16-7-4-8-17(12-16)30-18-9-5-10-19(13-18)31(2,28)29/h3-14H,1-2H3,(H2,25,27)
InChIKeyXBDCCVVGSIGGTL-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.50
Rot. Bonds5

About 8-methyl-4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline-3-carboxamide

8-methyl-4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline-3-carboxamide (PubChem CID 46225245) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is 8-methyl-4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name8-methyl-4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline-3-carboxamide
PubChem CID46225245
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC Name8-methyl-4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline-3-carboxamide
SMILESCc1cccc2c(-c3cccc(Oc4cccc(S(C)(=O)=O)c4)c3)c(C(N)=O)cnc12
InChIInChI=1S/C24H20N2O4S/c1-15-6-3-11-20-22(21(24(25)27)14-26-23(15)20)16-7-4-8-17(12-16)30-18-9-5-10-19(13-18)31(2,28)29/h3-14H,1-2H3,(H2,25,27)
InChIKeyXBDCCVVGSIGGTL-UHFFFAOYSA-N
XLogP4.50
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline-3-carboxamide?
The IUPAC name of 8-methyl-4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline-3-carboxamide (CID 46225245) is 8-methyl-4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 8-methyl-4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 8-methyl-4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline-3-carboxamide is Cc1cccc2c(-c3cccc(Oc4cccc(S(C)(=O)=O)c4)c3)c(C(N)=O)cnc12.
What is the InChIKey of 8-methyl-4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline-3-carboxamide?
The InChIKey is XBDCCVVGSIGGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-15-6-3-11-20-22(21(24(25)27)14-26-23(15)20)16-7-4-8-17(12-16)30-18-9-5-10-19(13-18)31(2,28)29/h3-14H,1-2H3,(H2,25,27).
What are the key properties of 8-methyl-4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline-3-carboxamide?
8-methyl-4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline-3-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 46225245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).