8-acetyl-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one

C18H21F2N3O2 — CID 169154458

IUPAC8-acetyl-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(C3(C)CN(CC(F)F)C3)nc12
InChIInChI=1S/C18H21F2N3O2/c1-10-5-12(11(2)24)15-13(6-10)16(25)22(4)17(21-15)18(3)8-23(9-18)7-14(19)20/h5-6,14H,7-9H2,1-4H3
InChIKeyQNZHLBBBSPREKN-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.28
Rot. Bonds4

About 8-acetyl-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one

8-acetyl-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one (PubChem CID 169154458) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is 8-acetyl-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one
PubChem CID169154458
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name8-acetyl-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(C3(C)CN(CC(F)F)C3)nc12
InChIInChI=1S/C18H21F2N3O2/c1-10-5-12(11(2)24)15-13(6-10)16(25)22(4)17(21-15)18(3)8-23(9-18)7-14(19)20/h5-6,14H,7-9H2,1-4H3
InChIKeyQNZHLBBBSPREKN-UHFFFAOYSA-N
XLogP2.28
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-acetyl-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one with MolForge

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Related Compounds

6-Methyl-3-octyl-quinazolin-4-one
CID 53232145
2-[2-(Dimethylamino)ethyl]-8-fluoro-6a,10a-dihydroindolo[2,1-b]quinazoline-6,12-dione
CID 172460707
2-Methyl-8-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one
CID 14858469
6-Acetyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
CID 20732838
2,3-Dimethyl-6-(trifluoromethyl)quinazolin-4-one
CID 20799409
3-Benzhydryl-6-(4-fluorobenzoyl)-2-methylquinazolin-4-one
CID 58187035
2-Methyl-3-(4-methylidene-2-oxocyclohexyl)-8-(trifluoromethyl)quinazolin-4-one
CID 58252901
6-(Difluoromethyl)-2,3-dimethylquinazolin-4-one
CID 60040542
3-(2-Fluoroethyl)-2,8-dimethylquinazolin-4-one
CID 71007354
8-Methyl-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 71007472
3-(2,2-Difluoroethyl)-8-methylquinazolin-4-one
CID 71007476
3,8-Dimethyl-2-(trifluoromethyl)quinazolin-4-one
CID 71007506

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one?
The IUPAC name of 8-acetyl-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one (CID 169154458) is 8-acetyl-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one.
What is the SMILES notation for 8-acetyl-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one?
The canonical SMILES for 8-acetyl-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one is CC(=O)c1cc(C)cc2c(=O)n(C)c(C3(C)CN(CC(F)F)C3)nc12.
What is the InChIKey of 8-acetyl-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one?
The InChIKey is QNZHLBBBSPREKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c1-10-5-12(11(2)24)15-13(6-10)16(25)22(4)17(21-15)18(3)8-23(9-18)7-14(19)20/h5-6,14H,7-9H2,1-4H3.
What are the key properties of 8-acetyl-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one?
8-acetyl-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one has a molecular weight of 349.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one is sourced from PubChem (CID 169154458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).