4,8-dimethyl-6-methylsulfonylquinoline-3-carboxamide

C13H14N2O3S — CID 58826185

IUPAC4,8-dimethyl-6-methylsulfonylquinoline-3-carboxamide
SMILESCc1c(C(N)=O)cnc2c(C)cc(S(C)(=O)=O)cc12
InChIInChI=1S/C13H14N2O3S/c1-7-4-9(19(3,17)18)5-10-8(2)11(13(14)16)6-15-12(7)10/h4-6H,1-3H3,(H2,14,16)
InChIKeyGHYFPHDVCNKJDK-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.35
Rot. Bonds2

About 4,8-dimethyl-6-methylsulfonylquinoline-3-carboxamide

4,8-dimethyl-6-methylsulfonylquinoline-3-carboxamide (PubChem CID 58826185) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4,8-dimethyl-6-methylsulfonylquinoline-3-carboxamide.

Molecular Properties

Compound Name4,8-dimethyl-6-methylsulfonylquinoline-3-carboxamide
PubChem CID58826185
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name4,8-dimethyl-6-methylsulfonylquinoline-3-carboxamide
SMILESCc1c(C(N)=O)cnc2c(C)cc(S(C)(=O)=O)cc12
InChIInChI=1S/C13H14N2O3S/c1-7-4-9(19(3,17)18)5-10-8(2)11(13(14)16)6-15-12(7)10/h4-6H,1-3H3,(H2,14,16)
InChIKeyGHYFPHDVCNKJDK-UHFFFAOYSA-N
XLogP1.35
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-6-methylsulfonylquinoline-3-carboxamide?
The IUPAC name of 4,8-dimethyl-6-methylsulfonylquinoline-3-carboxamide (CID 58826185) is 4,8-dimethyl-6-methylsulfonylquinoline-3-carboxamide.
What is the SMILES notation for 4,8-dimethyl-6-methylsulfonylquinoline-3-carboxamide?
The canonical SMILES for 4,8-dimethyl-6-methylsulfonylquinoline-3-carboxamide is Cc1c(C(N)=O)cnc2c(C)cc(S(C)(=O)=O)cc12.
What is the InChIKey of 4,8-dimethyl-6-methylsulfonylquinoline-3-carboxamide?
The InChIKey is GHYFPHDVCNKJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-7-4-9(19(3,17)18)5-10-8(2)11(13(14)16)6-15-12(7)10/h4-6H,1-3H3,(H2,14,16).
What are the key properties of 4,8-dimethyl-6-methylsulfonylquinoline-3-carboxamide?
4,8-dimethyl-6-methylsulfonylquinoline-3-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-6-methylsulfonylquinoline-3-carboxamide is sourced from PubChem (CID 58826185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).