4-cyano-N-(7-methoxy-1,3,4-trimethyl-2-oxoquinolin-6-yl)benzenesulfonamide

C20H19N3O4S — CID 118918688

IUPAC4-cyano-N-(7-methoxy-1,3,4-trimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1ccc(C#N)cc1)c(C)c(C)c(=O)n2C
InChIInChI=1S/C20H19N3O4S/c1-12-13(2)20(24)23(3)18-10-19(27-4)17(9-16(12)18)22-28(25,26)15-7-5-14(11-21)6-8-15/h5-10,22H,1-4H3
InChIKeyKUAKFRPGEWPBST-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.84
Rot. Bonds4

About 4-cyano-N-(7-methoxy-1,3,4-trimethyl-2-oxoquinolin-6-yl)benzenesulfonamide

4-cyano-N-(7-methoxy-1,3,4-trimethyl-2-oxoquinolin-6-yl)benzenesulfonamide (PubChem CID 118918688) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-cyano-N-(7-methoxy-1,3,4-trimethyl-2-oxoquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(7-methoxy-1,3,4-trimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
PubChem CID118918688
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name4-cyano-N-(7-methoxy-1,3,4-trimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1ccc(C#N)cc1)c(C)c(C)c(=O)n2C
InChIInChI=1S/C20H19N3O4S/c1-12-13(2)20(24)23(3)18-10-19(27-4)17(9-16(12)18)22-28(25,26)15-7-5-14(11-21)6-8-15/h5-10,22H,1-4H3
InChIKeyKUAKFRPGEWPBST-UHFFFAOYSA-N
XLogP2.84
TPSA101.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(7-methoxy-1,3,4-trimethyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(7-methoxy-1,3,4-trimethyl-2-oxoquinolin-6-yl)benzenesulfonamide (CID 118918688) is 4-cyano-N-(7-methoxy-1,3,4-trimethyl-2-oxoquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(7-methoxy-1,3,4-trimethyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(7-methoxy-1,3,4-trimethyl-2-oxoquinolin-6-yl)benzenesulfonamide is COc1cc2c(cc1NS(=O)(=O)c1ccc(C#N)cc1)c(C)c(C)c(=O)n2C.
What is the InChIKey of 4-cyano-N-(7-methoxy-1,3,4-trimethyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The InChIKey is KUAKFRPGEWPBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-12-13(2)20(24)23(3)18-10-19(27-4)17(9-16(12)18)22-28(25,26)15-7-5-14(11-21)6-8-15/h5-10,22H,1-4H3.
What are the key properties of 4-cyano-N-(7-methoxy-1,3,4-trimethyl-2-oxoquinolin-6-yl)benzenesulfonamide?
4-cyano-N-(7-methoxy-1,3,4-trimethyl-2-oxoquinolin-6-yl)benzenesulfonamide has a molecular weight of 397.46 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(7-methoxy-1,3,4-trimethyl-2-oxoquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 118918688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).