4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]-N-methylbenzenesulfonamide

C19H17FN4O2S — CID 133310255

IUPAC4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CNc2c(C#N)cnc3c(C)cc(F)cc23)cc1
InChIInChI=1S/C19H17FN4O2S/c1-12-7-15(20)8-17-18(12)24-11-14(9-21)19(17)23-10-13-3-5-16(6-4-13)27(25,26)22-2/h3-8,11,22H,10H2,1-2H3,(H,23,24)
InChIKeyNYWIRQCQJYABIN-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.07
Rot. Bonds5

About 4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]-N-methylbenzenesulfonamide

4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]-N-methylbenzenesulfonamide (PubChem CID 133310255) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]-N-methylbenzenesulfonamide
PubChem CID133310255
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC Name4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CNc2c(C#N)cnc3c(C)cc(F)cc23)cc1
InChIInChI=1S/C19H17FN4O2S/c1-12-7-15(20)8-17-18(12)24-11-14(9-21)19(17)23-10-13-3-5-16(6-4-13)27(25,26)22-2/h3-8,11,22H,10H2,1-2H3,(H,23,24)
InChIKeyNYWIRQCQJYABIN-UHFFFAOYSA-N
XLogP3.07
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]-N-methylbenzenesulfonamide with MolForge

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Related Compounds

6-fluoro-8-methyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile
CID 133319660
6,8-dimethyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile
CID 133319647
6-fluoro-4-(2-hydroxyethylamino)-8-methylquinoline-3-carbonitrile
CID 133381697
N-butan-2-yl-3-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]benzamide
CID 133317900
4-[(4-cyano-2,6-difluoroanilino)methyl]-N-methylbenzenesulfonamide
CID 51101942
4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile
CID 133324355
6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile
CID 166214969
6-fluoro-8-methyl-4-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]quinoline-3-carbonitrile
CID 133449212
6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile
CID 133352960
N-[2-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]ethyl]benzenesulfonamide
CID 133316515
6-fluoro-8-methyl-4-[4-(1,2,4-triazol-4-yl)butylamino]quinoline-3-carbonitrile
CID 133325446
6-fluoro-8-methyl-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
CID 133353498

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]-N-methylbenzenesulfonamide (CID 133310255) is 4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(CNc2c(C#N)cnc3c(C)cc(F)cc23)cc1.
What is the InChIKey of 4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]-N-methylbenzenesulfonamide?
The InChIKey is NYWIRQCQJYABIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c1-12-7-15(20)8-17-18(12)24-11-14(9-21)19(17)23-10-13-3-5-16(6-4-13)27(25,26)22-2/h3-8,11,22H,10H2,1-2H3,(H,23,24).
What are the key properties of 4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]-N-methylbenzenesulfonamide?
4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]-N-methylbenzenesulfonamide has a molecular weight of 384.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 133310255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).