4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxy-N-methylbenzenesulfonamide

C20H19N3O4S — CID 118918753

IUPAC4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1cc(C#N)ccc1S(=O)(=O)N(C)c1ccc2c(c1)cc(C)c(=O)n2C
InChIInChI=1S/C20H19N3O4S/c1-13-9-15-11-16(6-7-17(15)22(2)20(13)24)23(3)28(25,26)19-8-5-14(12-21)10-18(19)27-4/h5-11H,1-4H3
InChIKeyCYGPGDIEHJBXQV-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.55
Rot. Bonds4

About 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxy-N-methylbenzenesulfonamide

4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 118918753) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxy-N-methylbenzenesulfonamide
PubChem CID118918753
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1cc(C#N)ccc1S(=O)(=O)N(C)c1ccc2c(c1)cc(C)c(=O)n2C
InChIInChI=1S/C20H19N3O4S/c1-13-9-15-11-16(6-7-17(15)22(2)20(13)24)23(3)28(25,26)19-8-5-14(12-21)10-18(19)27-4/h5-11H,1-4H3
InChIKeyCYGPGDIEHJBXQV-UHFFFAOYSA-N
XLogP2.55
TPSA92.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxy-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxy-N-methylbenzenesulfonamide (CID 118918753) is 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxy-N-methylbenzenesulfonamide is COc1cc(C#N)ccc1S(=O)(=O)N(C)c1ccc2c(c1)cc(C)c(=O)n2C.
What is the InChIKey of 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is CYGPGDIEHJBXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-13-9-15-11-16(6-7-17(15)22(2)20(13)24)23(3)28(25,26)19-8-5-14(12-21)10-18(19)27-4/h5-11H,1-4H3.
What are the key properties of 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxy-N-methylbenzenesulfonamide?
4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 397.46 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 118918753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).