N-[1-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

C17H22N4O2S — CID 133321550

IUPACN-[1-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCc1cc(C)c2ncc(C#N)c(NCC(C)(C)NS(C)(=O)=O)c2c1
InChIInChI=1S/C17H22N4O2S/c1-11-6-12(2)15-14(7-11)16(13(8-18)9-19-15)20-10-17(3,4)21-24(5,22)23/h6-7,9,21H,10H2,1-5H3,(H,19,20)
InChIKeyYYUKHUKWRYGKMZ-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.46
Rot. Bonds5

About N-[1-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 133321550) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[1-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID133321550
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[1-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCc1cc(C)c2ncc(C#N)c(NCC(C)(C)NS(C)(=O)=O)c2c1
InChIInChI=1S/C17H22N4O2S/c1-11-6-12(2)15-14(7-11)16(13(8-18)9-19-15)20-10-17(3,4)21-24(5,22)23/h6-7,9,21H,10H2,1-5H3,(H,19,20)
InChIKeyYYUKHUKWRYGKMZ-UHFFFAOYSA-N
XLogP2.46
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 133321550) is N-[1-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is Cc1cc(C)c2ncc(C#N)c(NCC(C)(C)NS(C)(=O)=O)c2c1.
What is the InChIKey of N-[1-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is YYUKHUKWRYGKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11-6-12(2)15-14(7-11)16(13(8-18)9-19-15)20-10-17(3,4)21-24(5,22)23/h6-7,9,21H,10H2,1-5H3,(H,19,20).
What are the key properties of N-[1-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 346.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 133321550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).