(NZ,R)-N-[1-[2-(3,3-difluoroazetidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide

C19H24F2N4O2S — CID 169154656

IUPAC(NZ,R)-N-[1-[2-(3,3-difluoroazetidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N/[S@](=O)C(C)(C)C)c1cc(C)cc2c(=O)n(C)c(N3CC(F)(F)C3)nc12
InChIInChI=1S/C19H24F2N4O2S/c1-11-7-13(12(2)23-28(27)18(3,4)5)15-14(8-11)16(26)24(6)17(22-15)25-9-19(20,21)10-25/h7-8H,9-10H2,1-6H3/b23-12-/t28-/m1/s1
InChIKeyMEXUCHSVUOMJOS-VEFMJHAUSA-N
MW410.49 g/mol
LogP2.97
Rot. Bonds3

About (NZ,R)-N-[1-[2-(3,3-difluoroazetidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide

(NZ,R)-N-[1-[2-(3,3-difluoroazetidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 169154656) has the molecular formula C19H24F2N4O2S and a molecular weight of 410.49 g/mol. Its IUPAC name is (NZ,R)-N-[1-[2-(3,3-difluoroazetidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NZ,R)-N-[1-[2-(3,3-difluoroazetidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID169154656
Molecular FormulaC19H24F2N4O2S
Molecular Weight410.49 g/mol
Exact Mass410.16
IUPAC Name(NZ,R)-N-[1-[2-(3,3-difluoroazetidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N/[S@](=O)C(C)(C)C)c1cc(C)cc2c(=O)n(C)c(N3CC(F)(F)C3)nc12
InChIInChI=1S/C19H24F2N4O2S/c1-11-7-13(12(2)23-28(27)18(3,4)5)15-14(8-11)16(26)24(6)17(22-15)25-9-19(20,21)10-25/h7-8H,9-10H2,1-6H3/b23-12-/t28-/m1/s1
InChIKeyMEXUCHSVUOMJOS-VEFMJHAUSA-N
XLogP2.97
TPSA67.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ,R)-N-[1-[2-(3,3-difluoroazetidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NZ,R)-N-[1-[2-(3,3-difluoroazetidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide (CID 169154656) is (NZ,R)-N-[1-[2-(3,3-difluoroazetidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NZ,R)-N-[1-[2-(3,3-difluoroazetidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NZ,R)-N-[1-[2-(3,3-difluoroazetidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide is C/C(=N/[S@](=O)C(C)(C)C)c1cc(C)cc2c(=O)n(C)c(N3CC(F)(F)C3)nc12.
What is the InChIKey of (NZ,R)-N-[1-[2-(3,3-difluoroazetidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is MEXUCHSVUOMJOS-VEFMJHAUSA-N. The full InChI is InChI=1S/C19H24F2N4O2S/c1-11-7-13(12(2)23-28(27)18(3,4)5)15-14(8-11)16(26)24(6)17(22-15)25-9-19(20,21)10-25/h7-8H,9-10H2,1-6H3/b23-12-/t28-/m1/s1.
What are the key properties of (NZ,R)-N-[1-[2-(3,3-difluoroazetidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?
(NZ,R)-N-[1-[2-(3,3-difluoroazetidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 410.49 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ,R)-N-[1-[2-(3,3-difluoroazetidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 169154656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).