8-acetyl-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3,6-dimethylquinazolin-4-one

C17H17FN2O2 — CID 176864465

IUPAC8-acetyl-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3,6-dimethylquinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(C34CC(F)(C3)C4)nc12
InChIInChI=1S/C17H17FN2O2/c1-9-4-11(10(2)21)13-12(5-9)14(22)20(3)15(19-13)16-6-17(18,7-16)8-16/h4-5H,6-8H2,1-3H3
InChIKeyIAWZBJYAMAPMOI-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.59
Rot. Bonds2

About 8-acetyl-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3,6-dimethylquinazolin-4-one

8-acetyl-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3,6-dimethylquinazolin-4-one (PubChem CID 176864465) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 8-acetyl-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3,6-dimethylquinazolin-4-one
PubChem CID176864465
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name8-acetyl-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3,6-dimethylquinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(C34CC(F)(C3)C4)nc12
InChIInChI=1S/C17H17FN2O2/c1-9-4-11(10(2)21)13-12(5-9)14(22)20(3)15(19-13)16-6-17(18,7-16)8-16/h4-5H,6-8H2,1-3H3
InChIKeyIAWZBJYAMAPMOI-UHFFFAOYSA-N
XLogP2.59
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-acetyl-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3,6-dimethylquinazolin-4-one with MolForge

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Related Compounds

8-acetyl-3,6-dimethyl-2-(1-methylcyclopentyl)quinazolin-4-one
CID 169154754
8-acetyl-2,3,6-trimethylquinazolin-4-one
CID 169155169
8-acetyl-3,6-dimethyl-2-(3-methyloxolan-3-yl)quinazolin-4-one
CID 169154544
8-acetyl-3,6-dimethyl-2-(2-methylpropoxy)quinazolin-4-one
CID 170438310
8-bromo-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one
CID 169155207
(1S,5R)-3-(8-acetyl-3,6-dimethyl-4-oxoquinazolin-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 170170391
8-acetyl-2-(4,6-dimethyl-3-pyridinyl)-3,6-dimethylquinazolin-4-one
CID 169154725
8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one
CID 169154717
2-(1-bicyclo[1.1.1]pentanyl)-8-bromo-3,6-dimethylquinazolin-4-one
CID 169154876
5-acetyl-2,7-dimethyl-3-(4-methylpiperidin-1-yl)isoquinolin-1-one
CID 175981525
6-chloro-3-[[(1R)-1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 169155014
tert-butyl-[1-[3,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-oxoquinazolin-8-yl]ethylideneamino]-oxidosulfanium
CID 174056336

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3,6-dimethylquinazolin-4-one?
The IUPAC name of 8-acetyl-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3,6-dimethylquinazolin-4-one (CID 176864465) is 8-acetyl-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3,6-dimethylquinazolin-4-one.
What is the SMILES notation for 8-acetyl-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3,6-dimethylquinazolin-4-one?
The canonical SMILES for 8-acetyl-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3,6-dimethylquinazolin-4-one is CC(=O)c1cc(C)cc2c(=O)n(C)c(C34CC(F)(C3)C4)nc12.
What is the InChIKey of 8-acetyl-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3,6-dimethylquinazolin-4-one?
The InChIKey is IAWZBJYAMAPMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-9-4-11(10(2)21)13-12(5-9)14(22)20(3)15(19-13)16-6-17(18,7-16)8-16/h4-5H,6-8H2,1-3H3.
What are the key properties of 8-acetyl-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3,6-dimethylquinazolin-4-one?
8-acetyl-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3,6-dimethylquinazolin-4-one has a molecular weight of 300.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3,6-dimethylquinazolin-4-one is sourced from PubChem (CID 176864465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).