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

C19H24FN3O2S — CID 169154861

IUPAC(NZ,R)-N-[1-[2-(1-fluorocyclopropyl)-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)CC3)nc12
InChIInChI=1S/C19H24FN3O2S/c1-11-9-13(12(2)22-26(25)18(3,4)5)15-14(10-11)16(24)23(6)17(21-15)19(20)7-8-19/h9-10H,7-8H2,1-6H3/b22-12-/t26-/m1/s1
InChIKeyPYCDPJJJSIVNPU-APHAYPQZSA-N
MW377.49 g/mol
LogP3.47
Rot. Bonds3

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

(NZ,R)-N-[1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 169154861) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is (NZ,R)-N-[1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NZ,R)-N-[1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID169154861
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name(NZ,R)-N-[1-[2-(1-fluorocyclopropyl)-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)CC3)nc12
InChIInChI=1S/C19H24FN3O2S/c1-11-9-13(12(2)22-26(25)18(3,4)5)15-14(10-11)16(24)23(6)17(21-15)19(20)7-8-19/h9-10H,7-8H2,1-6H3/b22-12-/t26-/m1/s1
InChIKeyPYCDPJJJSIVNPU-APHAYPQZSA-N
XLogP3.47
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Fluoroethyl)-2,8-dimethylquinazolin-4-one
CID 71007354
N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorocyclohexa-1,5-dien-1-yl)-6-methyl-4-oxoquinazolin-2-yl]ethyl]decanamide
CID 71219192
3,6-Dimethyl-2-propyl-8-(trifluoromethyl)quinazolin-4-one
CID 89659139
2-ethyl-7-fluoro-6-[(E)-3-oxobut-1-enyl]-3-(2-phenylethyl)quinazolin-4-one
CID 89841402
6-Fluoro-2,3,8-trimethylquinazolin-4-one
CID 90253866
2,3,6-Trimethyl-8-(trifluoromethyl)quinazolin-4-one
CID 144278133
8-Acetyl-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one
CID 169154485
8-Acetyl-2-(3,3-difluorocyclobutyl)-3,6-dimethylquinazolin-4-one
CID 169154595
(R)-N-[(1R)-1-[2-(3-fluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 169154625
(NZ,R)-N-[1-[2-(3,3-difluoroazetidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
CID 169154656
(R)-N-[(1R)-1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 169154657
(R)-N-[(1R)-1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 169154705

Frequently Asked Questions

What is the IUPAC name of (NZ,R)-N-[1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NZ,R)-N-[1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide (CID 169154861) is (NZ,R)-N-[1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NZ,R)-N-[1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NZ,R)-N-[1-[2-(1-fluorocyclopropyl)-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)CC3)nc12.
What is the InChIKey of (NZ,R)-N-[1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is PYCDPJJJSIVNPU-APHAYPQZSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-11-9-13(12(2)22-26(25)18(3,4)5)15-14(10-11)16(24)23(6)17(21-15)19(20)7-8-19/h9-10H,7-8H2,1-6H3/b22-12-/t26-/m1/s1.
What are the key properties of (NZ,R)-N-[1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?
(NZ,R)-N-[1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 377.49 g/mol, XLogP of 3.47, 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-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 169154861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).