8-acetyl-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one

C15H15FN2O2 — CID 169154485

IUPAC8-acetyl-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(C3(F)CC3)nc12
InChIInChI=1S/C15H15FN2O2/c1-8-6-10(9(2)19)12-11(7-8)13(20)18(3)14(17-12)15(16)4-5-15/h6-7H,4-5H2,1-3H3
InChIKeyIJQYVTVOXJZYRT-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.40
Rot. Bonds2

About 8-acetyl-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one

8-acetyl-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one (PubChem CID 169154485) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 8-acetyl-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one
PubChem CID169154485
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name8-acetyl-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(C3(F)CC3)nc12
InChIInChI=1S/C15H15FN2O2/c1-8-6-10(9(2)19)12-11(7-8)13(20)18(3)14(17-12)15(16)4-5-15/h6-7H,4-5H2,1-3H3
InChIKeyIJQYVTVOXJZYRT-UHFFFAOYSA-N
XLogP2.40
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Methyl-2,3-dihydropyrrolo(2,1-B)quinazolin-9(1H)-one
CID 730195
6-acetyl-3H-quinazolin-4-one
CID 135925140
4-methyl-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
CID 3403543
2-methyl-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
CID 730196
N-Cyclopropyl-3-ethyl-4-oxo-3,4-dihydroquinazoline-6-carboxamide
CID 53015892
3-hexyl-6-methylquinazolin-4(3H)-one
CID 13811000
7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;hydrochloride
CID 13911947
2-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one;hydrochloride
CID 13911950
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-(Difluoromethyl)pyrido[2,1-b]quinazolin-11-one
CID 101910766
2-Methylpyrido[2,1-b]quinazolin-11-one
CID 12846434

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one?
The IUPAC name of 8-acetyl-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one (CID 169154485) is 8-acetyl-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one.
What is the SMILES notation for 8-acetyl-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one?
The canonical SMILES for 8-acetyl-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one is CC(=O)c1cc(C)cc2c(=O)n(C)c(C3(F)CC3)nc12.
What is the InChIKey of 8-acetyl-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one?
The InChIKey is IJQYVTVOXJZYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-8-6-10(9(2)19)12-11(7-8)13(20)18(3)14(17-12)15(16)4-5-15/h6-7H,4-5H2,1-3H3.
What are the key properties of 8-acetyl-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one?
8-acetyl-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one has a molecular weight of 274.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one is sourced from PubChem (CID 169154485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).