8-acetyl-2-(4,6-dimethyl-3-pyridinyl)-3,6-dimethylquinazolin-4-one

C19H19N3O2 — CID 169154725

IUPAC8-acetyl-2-(4,6-dimethyl-3-pyridinyl)-3,6-dimethylquinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(-c3cnc(C)cc3C)nc12
InChIInChI=1S/C19H19N3O2/c1-10-6-14(13(4)23)17-15(7-10)19(24)22(5)18(21-17)16-9-20-12(3)8-11(16)2/h6-9H,1-5H3
InChIKeyZDNDYPKRKQMZMB-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.12
Rot. Bonds2

About 8-acetyl-2-(4,6-dimethyl-3-pyridinyl)-3,6-dimethylquinazolin-4-one

8-acetyl-2-(4,6-dimethyl-3-pyridinyl)-3,6-dimethylquinazolin-4-one (PubChem CID 169154725) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 8-acetyl-2-(4,6-dimethyl-3-pyridinyl)-3,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-2-(4,6-dimethyl-3-pyridinyl)-3,6-dimethylquinazolin-4-one
PubChem CID169154725
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name8-acetyl-2-(4,6-dimethyl-3-pyridinyl)-3,6-dimethylquinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(-c3cnc(C)cc3C)nc12
InChIInChI=1S/C19H19N3O2/c1-10-6-14(13(4)23)17-15(7-10)19(24)22(5)18(21-17)16-9-20-12(3)8-11(16)2/h6-9H,1-5H3
InChIKeyZDNDYPKRKQMZMB-UHFFFAOYSA-N
XLogP3.12
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-acetyl-2,3,6-trimethylquinazolin-4-one
CID 169155169
8-acetyl-3,6-dimethyl-2-(2-methylpropoxy)quinazolin-4-one
CID 170438310
8-acetyl-3,6-dimethyl-2-(1-methylcyclopentyl)quinazolin-4-one
CID 169154754
methyl 6-chloro-3-[[(1R)-1-[2-(4,6-dimethyl-3-pyridinyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]amino]pyridine-2-carboxylate
CID 169154886
8-acetyl-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3,6-dimethylquinazolin-4-one
CID 176864465
8-acetyl-3,6-dimethyl-2-(3-methyloxolan-3-yl)quinazolin-4-one
CID 169154544
(1S,5R)-3-(8-acetyl-3,6-dimethyl-4-oxoquinazolin-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 170170391
[1-[2-(1-benzofuran-3-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylideneamino]-tert-butyl-oxidosulfanium
CID 174056300
(NZ)-N-[1-[2-(2,6-difluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfonamide
CID 176887960
4,6-dimethylpyridine-3-carboxylic acid
CID 817290
5-acetyl-2,7-dimethyl-3-(4-methylpiperidin-1-yl)isoquinolin-1-one
CID 175981525
tert-butyl-[1-[3,6-dimethyl-2-(2-methylpyrazol-3-yl)-4-oxoquinazolin-8-yl]ethylideneamino]-oxidosulfanium
CID 174056402

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2-(4,6-dimethyl-3-pyridinyl)-3,6-dimethylquinazolin-4-one?
The IUPAC name of 8-acetyl-2-(4,6-dimethyl-3-pyridinyl)-3,6-dimethylquinazolin-4-one (CID 169154725) is 8-acetyl-2-(4,6-dimethyl-3-pyridinyl)-3,6-dimethylquinazolin-4-one.
What is the SMILES notation for 8-acetyl-2-(4,6-dimethyl-3-pyridinyl)-3,6-dimethylquinazolin-4-one?
The canonical SMILES for 8-acetyl-2-(4,6-dimethyl-3-pyridinyl)-3,6-dimethylquinazolin-4-one is CC(=O)c1cc(C)cc2c(=O)n(C)c(-c3cnc(C)cc3C)nc12.
What is the InChIKey of 8-acetyl-2-(4,6-dimethyl-3-pyridinyl)-3,6-dimethylquinazolin-4-one?
The InChIKey is ZDNDYPKRKQMZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-10-6-14(13(4)23)17-15(7-10)19(24)22(5)18(21-17)16-9-20-12(3)8-11(16)2/h6-9H,1-5H3.
What are the key properties of 8-acetyl-2-(4,6-dimethyl-3-pyridinyl)-3,6-dimethylquinazolin-4-one?
8-acetyl-2-(4,6-dimethyl-3-pyridinyl)-3,6-dimethylquinazolin-4-one has a molecular weight of 321.38 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2-(4,6-dimethyl-3-pyridinyl)-3,6-dimethylquinazolin-4-one is sourced from PubChem (CID 169154725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).