8-acetyl-2-(4,4-difluoropiperidin-1-yl)-3,6,7-trimethylquinazolin-4-one

C18H21F2N3O2 — CID 169155220

IUPAC8-acetyl-2-(4,4-difluoropiperidin-1-yl)-3,6,7-trimethylquinazolin-4-one
SMILESCC(=O)c1c(C)c(C)cc2c(=O)n(C)c(N3CCC(F)(F)CC3)nc12
InChIInChI=1S/C18H21F2N3O2/c1-10-9-13-15(14(11(10)2)12(3)24)21-17(22(4)16(13)25)23-7-5-18(19,20)6-8-23/h9H,5-8H2,1-4H3
InChIKeyMDASDDWSYNPFHV-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.99
Rot. Bonds2

About 8-acetyl-2-(4,4-difluoropiperidin-1-yl)-3,6,7-trimethylquinazolin-4-one

8-acetyl-2-(4,4-difluoropiperidin-1-yl)-3,6,7-trimethylquinazolin-4-one (PubChem CID 169155220) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is 8-acetyl-2-(4,4-difluoropiperidin-1-yl)-3,6,7-trimethylquinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-2-(4,4-difluoropiperidin-1-yl)-3,6,7-trimethylquinazolin-4-one
PubChem CID169155220
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name8-acetyl-2-(4,4-difluoropiperidin-1-yl)-3,6,7-trimethylquinazolin-4-one
SMILESCC(=O)c1c(C)c(C)cc2c(=O)n(C)c(N3CCC(F)(F)CC3)nc12
InChIInChI=1S/C18H21F2N3O2/c1-10-9-13-15(14(11(10)2)12(3)24)21-17(22(4)16(13)25)23-7-5-18(19,20)6-8-23/h9H,5-8H2,1-4H3
InChIKeyMDASDDWSYNPFHV-UHFFFAOYSA-N
XLogP2.99
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-2-(4,4-difluoropiperidin-1-yl)-8-iodo-3-methylquinazolin-4-one
CID 169212493
2-(4,4-difluoropiperidin-1-yl)-8-ethanimidoyl-6-fluoro-3-methylquinazolin-4-one
CID 169155198
8-bromo-2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethylquinazolin-4-one;ethane
CID 169154783
2-[1-[2-(4,4-difluoropiperidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]benzoic acid
CID 169212672
2-[1-[6-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methyl-4-oxoquinazolin-8-yl]ethylamino]benzoic acid
CID 169212707
tert-butyl-[1-[2-(4,4-difluoropiperidin-1-yl)-3-methyl-4-oxo-6-(2-trimethylsilylethynyl)quinazolin-8-yl]ethylideneamino]-oxidosulfanium
CID 174056261
3-[[(1R)-1-[2-(4,4-difluoropiperidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]amino]-6-fluoro-N-methylsulfonylpyridine-2-carboxamide
CID 176804276
8-acetyl-3-methyl-2-morpholin-4-yl-6-(trifluoromethyl)quinazolin-4-one
CID 170754045
(1S,5R)-3-(8-acetyl-3,6-dimethyl-4-oxoquinazolin-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 170170391
8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one
CID 169155300
tert-butyl-[1-[6-chloro-2-(4,4-difluoropiperidin-1-yl)-3-methyl-4-oxopyrido[3,2-d]pyrimidin-8-yl]ethylideneamino]-oxidosulfanium
CID 174056299
tert-butyl-[1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]-oxidosulfanium
CID 174317987

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2-(4,4-difluoropiperidin-1-yl)-3,6,7-trimethylquinazolin-4-one?
The IUPAC name of 8-acetyl-2-(4,4-difluoropiperidin-1-yl)-3,6,7-trimethylquinazolin-4-one (CID 169155220) is 8-acetyl-2-(4,4-difluoropiperidin-1-yl)-3,6,7-trimethylquinazolin-4-one.
What is the SMILES notation for 8-acetyl-2-(4,4-difluoropiperidin-1-yl)-3,6,7-trimethylquinazolin-4-one?
The canonical SMILES for 8-acetyl-2-(4,4-difluoropiperidin-1-yl)-3,6,7-trimethylquinazolin-4-one is CC(=O)c1c(C)c(C)cc2c(=O)n(C)c(N3CCC(F)(F)CC3)nc12.
What is the InChIKey of 8-acetyl-2-(4,4-difluoropiperidin-1-yl)-3,6,7-trimethylquinazolin-4-one?
The InChIKey is MDASDDWSYNPFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c1-10-9-13-15(14(11(10)2)12(3)24)21-17(22(4)16(13)25)23-7-5-18(19,20)6-8-23/h9H,5-8H2,1-4H3.
What are the key properties of 8-acetyl-2-(4,4-difluoropiperidin-1-yl)-3,6,7-trimethylquinazolin-4-one?
8-acetyl-2-(4,4-difluoropiperidin-1-yl)-3,6,7-trimethylquinazolin-4-one has a molecular weight of 349.38 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2-(4,4-difluoropiperidin-1-yl)-3,6,7-trimethylquinazolin-4-one is sourced from PubChem (CID 169155220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).