4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide

C20H19N3O4S — CID 118918689

IUPAC4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide
SMILESCCc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3OC)ccc2n(C)c1=O
InChIInChI=1S/C20H19N3O4S/c1-4-14-10-15-11-16(6-7-17(15)23(2)20(14)24)22-28(25,26)19-8-5-13(12-21)9-18(19)27-3/h5-11,22H,4H2,1-3H3
InChIKeyXYSAFIGWCJFZPU-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.78
Rot. Bonds5

About 4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide

4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide (PubChem CID 118918689) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide
PubChem CID118918689
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide
SMILESCCc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3OC)ccc2n(C)c1=O
InChIInChI=1S/C20H19N3O4S/c1-4-14-10-15-11-16(6-7-17(15)23(2)20(14)24)22-28(25,26)19-8-5-13(12-21)9-18(19)27-3/h5-11,22H,4H2,1-3H3
InChIKeyXYSAFIGWCJFZPU-UHFFFAOYSA-N
XLogP2.78
TPSA101.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide (CID 118918689) is 4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide is CCc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3OC)ccc2n(C)c1=O.
What is the InChIKey of 4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide?
The InChIKey is XYSAFIGWCJFZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-4-14-10-15-11-16(6-7-17(15)23(2)20(14)24)22-28(25,26)19-8-5-13(12-21)9-18(19)27-3/h5-11,22H,4H2,1-3H3.
What are the key properties of 4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide?
4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide has a molecular weight of 397.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 118918689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).