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

C18H25N3O2S — CID 169154611

IUPAC(NZ,R)-N-[1-(2-ethyl-3,6-dimethyl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCCc1nc2c(/C(C)=N\[S@](=O)C(C)(C)C)cc(C)cc2c(=O)n1C
InChIInChI=1S/C18H25N3O2S/c1-8-15-19-16-13(12(3)20-24(23)18(4,5)6)9-11(2)10-14(16)17(22)21(15)7/h9-10H,8H2,1-7H3/b20-12-/t24-/m1/s1
InChIKeyUPRHCIPFRJXGRJ-WCNLKWBDSA-N
MW347.48 g/mol
LogP3.08
Rot. Bonds3

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

(NZ,R)-N-[1-(2-ethyl-3,6-dimethyl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 169154611) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is (NZ,R)-N-[1-(2-ethyl-3,6-dimethyl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NZ,R)-N-[1-(2-ethyl-3,6-dimethyl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID169154611
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name(NZ,R)-N-[1-(2-ethyl-3,6-dimethyl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCCc1nc2c(/C(C)=N\[S@](=O)C(C)(C)C)cc(C)cc2c(=O)n1C
InChIInChI=1S/C18H25N3O2S/c1-8-15-19-16-13(12(3)20-24(23)18(4,5)6)9-11(2)10-14(16)17(22)21(15)7/h9-10H,8H2,1-7H3/b20-12-/t24-/m1/s1
InChIKeyUPRHCIPFRJXGRJ-WCNLKWBDSA-N
XLogP3.08
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.08
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

(NZ,R)-N-[1-[2-(1H-indol-2-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
CID 169154676
8-[(1R)-1-aminoethyl]-2-ethyl-3,6-dimethylquinazolin-4-one
CID 169155141
(NE,R)-N-[1-(7-fluoro-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-5-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 178071725
8-acetyl-2,3,6-trimethylquinazolin-4-one
CID 169155169
(R)-N-[1-(2-cyano-9-methyl-5-piperidin-1-ylimidazo[1,2-c]quinazolin-7-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 177370512
(NE,R)-N-[1-(3-chloro-10-fluoro-8-oxo-5,6-dihydro-1,6-naphthyridino[5,6-b]quinazolin-12-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 178071796
(NZ)-N-[1-[2-(2,6-difluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfonamide
CID 176887960
tert-butyl-[1-[3,6-dimethyl-2-(2-methylpyrazol-3-yl)-4-oxoquinazolin-8-yl]ethylideneamino]-oxidosulfanium
CID 174056402
(R)-N-[1-[6-chloro-3-cyclopropyl-2-(4-methyloxan-4-yl)-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
CID 170753158
(R)-N-[1-(7-cyclopropyl-9-oxospiro[1,2-dihydropyrrolo[2,1-b]quinazoline-3,1'-cyclohexane]-5-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 177369933
tert-butyl-[1-[2-(1H-indol-2-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylideneamino]-oxidosulfanium
CID 174056409
8-acetyl-3,6-dimethyl-2-(2-methylpropoxy)quinazolin-4-one
CID 170438310

Frequently Asked Questions

What is the IUPAC name of (NZ,R)-N-[1-(2-ethyl-3,6-dimethyl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NZ,R)-N-[1-(2-ethyl-3,6-dimethyl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide (CID 169154611) is (NZ,R)-N-[1-(2-ethyl-3,6-dimethyl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NZ,R)-N-[1-(2-ethyl-3,6-dimethyl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NZ,R)-N-[1-(2-ethyl-3,6-dimethyl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide is CCc1nc2c(/C(C)=N\[S@](=O)C(C)(C)C)cc(C)cc2c(=O)n1C.
What is the InChIKey of (NZ,R)-N-[1-(2-ethyl-3,6-dimethyl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is UPRHCIPFRJXGRJ-WCNLKWBDSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-8-15-19-16-13(12(3)20-24(23)18(4,5)6)9-11(2)10-14(16)17(22)21(15)7/h9-10H,8H2,1-7H3/b20-12-/t24-/m1/s1.
What are the key properties of (NZ,R)-N-[1-(2-ethyl-3,6-dimethyl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide?
(NZ,R)-N-[1-(2-ethyl-3,6-dimethyl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 347.48 g/mol, XLogP of 3.08, 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-ethyl-3,6-dimethyl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 169154611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).