N-[6-morpholin-4-yl-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide

C14H15F3N4O5S — CID 11682936

IUPACN-[6-morpholin-4-yl-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nn1c(=O)[nH]c2cc(C(F)(F)F)c(N3CCOCC3)cc2c1=O
InChIInChI=1S/C14H15F3N4O5S/c1-27(24,25)19-21-12(22)8-6-11(20-2-4-26-5-3-20)9(14(15,16)17)7-10(8)18-13(21)23/h6-7,19H,2-5H2,1H3,(H,18,23)
InChIKeyHGBNBSTUENZDSA-UHFFFAOYSA-N
MW408.36 g/mol
LogP0.05
Rot. Bonds3

About N-[6-morpholin-4-yl-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide

N-[6-morpholin-4-yl-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide (PubChem CID 11682936) has the molecular formula C14H15F3N4O5S and a molecular weight of 408.36 g/mol. Its IUPAC name is N-[6-morpholin-4-yl-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-morpholin-4-yl-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide
PubChem CID11682936
Molecular FormulaC14H15F3N4O5S
Molecular Weight408.36 g/mol
Exact Mass408.07
IUPAC NameN-[6-morpholin-4-yl-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nn1c(=O)[nH]c2cc(C(F)(F)F)c(N3CCOCC3)cc2c1=O
InChIInChI=1S/C14H15F3N4O5S/c1-27(24,25)19-21-12(22)8-6-11(20-2-4-26-5-3-20)9(14(15,16)17)7-10(8)18-13(21)23/h6-7,19H,2-5H2,1H3,(H,18,23)
InChIKeyHGBNBSTUENZDSA-UHFFFAOYSA-N
XLogP0.05
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-morpholin-4-yl-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide?
The IUPAC name of N-[6-morpholin-4-yl-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide (CID 11682936) is N-[6-morpholin-4-yl-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[6-morpholin-4-yl-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide?
The canonical SMILES for N-[6-morpholin-4-yl-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide is CS(=O)(=O)Nn1c(=O)[nH]c2cc(C(F)(F)F)c(N3CCOCC3)cc2c1=O.
What is the InChIKey of N-[6-morpholin-4-yl-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide?
The InChIKey is HGBNBSTUENZDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O5S/c1-27(24,25)19-21-12(22)8-6-11(20-2-4-26-5-3-20)9(14(15,16)17)7-10(8)18-13(21)23/h6-7,19H,2-5H2,1H3,(H,18,23).
What are the key properties of N-[6-morpholin-4-yl-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide?
N-[6-morpholin-4-yl-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide has a molecular weight of 408.36 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-morpholin-4-yl-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide is sourced from PubChem (CID 11682936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).