8-acetyl-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one

C18H19FN2O3 — CID 170754064

IUPAC8-acetyl-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one
SMILESCC(=O)c1cc(F)cc2c(=O)n(C3CC3)c(C3CCOCC3)nc12
InChIInChI=1S/C18H19FN2O3/c1-10(22)14-8-12(19)9-15-16(14)20-17(11-4-6-24-7-5-11)21(18(15)23)13-2-3-13/h8-9,11,13H,2-7H2,1H3
InChIKeyDITLHXBNIMFYMD-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.97
Rot. Bonds3

About 8-acetyl-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one

8-acetyl-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one (PubChem CID 170754064) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 8-acetyl-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one
PubChem CID170754064
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name8-acetyl-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one
SMILESCC(=O)c1cc(F)cc2c(=O)n(C3CC3)c(C3CCOCC3)nc12
InChIInChI=1S/C18H19FN2O3/c1-10(22)14-8-12(19)9-15-16(14)20-17(11-4-6-24-7-5-11)21(18(15)23)13-2-3-13/h8-9,11,13H,2-7H2,1H3
InChIKeyDITLHXBNIMFYMD-UHFFFAOYSA-N
XLogP2.97
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one?
The IUPAC name of 8-acetyl-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one (CID 170754064) is 8-acetyl-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one.
What is the SMILES notation for 8-acetyl-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one?
The canonical SMILES for 8-acetyl-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one is CC(=O)c1cc(F)cc2c(=O)n(C3CC3)c(C3CCOCC3)nc12.
What is the InChIKey of 8-acetyl-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one?
The InChIKey is DITLHXBNIMFYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-10(22)14-8-12(19)9-15-16(14)20-17(11-4-6-24-7-5-11)21(18(15)23)13-2-3-13/h8-9,11,13H,2-7H2,1H3.
What are the key properties of 8-acetyl-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one?
8-acetyl-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one has a molecular weight of 330.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one is sourced from PubChem (CID 170754064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).