N-[[1-[2-oxo-6-(trifluoromethyl)-1H-quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide

C16H19F3N4O3S — CID 146331809

IUPACN-[[1-[2-oxo-6-(trifluoromethyl)-1H-quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(c2nc(=O)[nH]c3ccc(C(F)(F)F)cc23)C1
InChIInChI=1S/C16H19F3N4O3S/c1-27(25,26)20-8-10-3-2-6-23(9-10)14-12-7-11(16(17,18)19)4-5-13(12)21-15(24)22-14/h4-5,7,10,20H,2-3,6,8-9H2,1H3,(H,21,22,24)
InChIKeyHAZUMYRRMVUQOD-UHFFFAOYSA-N
MW404.41 g/mol
LogP1.71
Rot. Bonds4

About N-[[1-[2-oxo-6-(trifluoromethyl)-1H-quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[2-oxo-6-(trifluoromethyl)-1H-quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 146331809) has the molecular formula C16H19F3N4O3S and a molecular weight of 404.41 g/mol. Its IUPAC name is N-[[1-[2-oxo-6-(trifluoromethyl)-1H-quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[2-oxo-6-(trifluoromethyl)-1H-quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID146331809
Molecular FormulaC16H19F3N4O3S
Molecular Weight404.41 g/mol
Exact Mass404.11
IUPAC NameN-[[1-[2-oxo-6-(trifluoromethyl)-1H-quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(c2nc(=O)[nH]c3ccc(C(F)(F)F)cc23)C1
InChIInChI=1S/C16H19F3N4O3S/c1-27(25,26)20-8-10-3-2-6-23(9-10)14-12-7-11(16(17,18)19)4-5-13(12)21-15(24)22-14/h4-5,7,10,20H,2-3,6,8-9H2,1H3,(H,21,22,24)
InChIKeyHAZUMYRRMVUQOD-UHFFFAOYSA-N
XLogP1.71
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]-1H-quinazolin-2-one
CID 118916148
N-methyl-2-((2-oxo-1-(o-tolyl)-7-(trifluoromethyl)-1,2-dihydroquinazolin-4-yl)amino)ethane-1-sulfonamide
CID 146714109
Amino(2-{[1-(2-methylphenyl)-2-oxo-7-(trifluoromethyl)hydroquinazolin-4-yl]-amino}ethyl)sulfonamide
CID 146976377
N-cyclopropyl-2-((2-oxo-1-(o-tolyl)-7-(trifluoromethyl)-1,2-dihydroquinazolin-4-yl)amino)ethane-1-sulfonamide
CID 148115080
N,N-dimethyl-2-((2-oxo-1-(o-tolyl)-7-(trifluoromethyl)-1,2-dihydroquinazolin-4-yl)amino)ethane-1-sulfonamide
CID 149401402
3-((2-Oxo-1-(o-tolyl)-7-(trifluoro-methyl)-1,2-dihydroquinazolin-4-yl)-amino)propane-1-sulfonamide
CID 153608428
N-methyl-3-((2-oxo-1-(o-tolyl)-7-(trifluoromethyl)-1,2-dihydroquinazolin-4-yl)amino)propane-1-sulfonamide
CID 153608629
N,N-dimethyl-3-((2-oxo-1-(o-tolyl)-7-(trifluoromethyl)-1,2-dihydroquinazolin-4-yl)amino)propane-1-sulfonamide
CID 153608872
2-((2-Oxo-1-(o-tolyl)-7-(trifluoro-methyl)-1,2-dihydroquinazolin-4-yl)-amino)ethane-1-sulfonamide
CID 153608873
Amino(3-{[1-(2-methylphenyl)-2-oxo-7-(trifluoromethyl)hydroquinazolin-4-yl]-amino}propyl)sulfonamide
CID 154929364
N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20628848
4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 20629577

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-oxo-6-(trifluoromethyl)-1H-quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[2-oxo-6-(trifluoromethyl)-1H-quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide (CID 146331809) is N-[[1-[2-oxo-6-(trifluoromethyl)-1H-quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[2-oxo-6-(trifluoromethyl)-1H-quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[2-oxo-6-(trifluoromethyl)-1H-quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(c2nc(=O)[nH]c3ccc(C(F)(F)F)cc23)C1.
What is the InChIKey of N-[[1-[2-oxo-6-(trifluoromethyl)-1H-quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is HAZUMYRRMVUQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O3S/c1-27(25,26)20-8-10-3-2-6-23(9-10)14-12-7-11(16(17,18)19)4-5-13(12)21-15(24)22-14/h4-5,7,10,20H,2-3,6,8-9H2,1H3,(H,21,22,24).
What are the key properties of N-[[1-[2-oxo-6-(trifluoromethyl)-1H-quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[2-oxo-6-(trifluoromethyl)-1H-quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 404.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-oxo-6-(trifluoromethyl)-1H-quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 146331809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).