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

C20H26FN3O2S — CID 169154720

IUPAC(NZ,R)-N-[1-[2-(1-fluorocyclobutyl)-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(C3(F)CCC3)nc12
InChIInChI=1S/C20H26FN3O2S/c1-12-10-14(13(2)23-27(26)19(3,4)5)16-15(11-12)17(25)24(6)18(22-16)20(21)8-7-9-20/h10-11H,7-9H2,1-6H3/b23-13-/t27-/m1/s1
InChIKeyFOLCHEUXESAJMJ-YDEDFUHSSA-N
MW391.51 g/mol
LogP3.86
Rot. Bonds3

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

(NZ,R)-N-[1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 169154720) has the molecular formula C20H26FN3O2S and a molecular weight of 391.51 g/mol. Its IUPAC name is (NZ,R)-N-[1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NZ,R)-N-[1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID169154720
Molecular FormulaC20H26FN3O2S
Molecular Weight391.51 g/mol
Exact Mass391.17
IUPAC Name(NZ,R)-N-[1-[2-(1-fluorocyclobutyl)-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(C3(F)CCC3)nc12
InChIInChI=1S/C20H26FN3O2S/c1-12-10-14(13(2)23-27(26)19(3,4)5)16-15(11-12)17(25)24(6)18(22-16)20(21)8-7-9-20/h10-11H,7-9H2,1-6H3/b23-13-/t27-/m1/s1
InChIKeyFOLCHEUXESAJMJ-YDEDFUHSSA-N
XLogP3.86
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NZ,R)-N-[1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide (CID 169154720) is (NZ,R)-N-[1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NZ,R)-N-[1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NZ,R)-N-[1-[2-(1-fluorocyclobutyl)-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(C3(F)CCC3)nc12.
What is the InChIKey of (NZ,R)-N-[1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is FOLCHEUXESAJMJ-YDEDFUHSSA-N. The full InChI is InChI=1S/C20H26FN3O2S/c1-12-10-14(13(2)23-27(26)19(3,4)5)16-15(11-12)17(25)24(6)18(22-16)20(21)8-7-9-20/h10-11H,7-9H2,1-6H3/b23-13-/t27-/m1/s1.
What are the key properties of (NZ,R)-N-[1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?
(NZ,R)-N-[1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 391.51 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ,R)-N-[1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 169154720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).