8-acetyl-3-(difluoromethyl)-6-fluoro-2-morpholin-4-ylquinazolin-4-one

C15H14F3N3O3 — CID 170753128

IUPAC8-acetyl-3-(difluoromethyl)-6-fluoro-2-morpholin-4-ylquinazolin-4-one
SMILESCC(=O)c1cc(F)cc2c(=O)n(C(F)F)c(N3CCOCC3)nc12
InChIInChI=1S/C15H14F3N3O3/c1-8(22)10-6-9(16)7-11-12(10)19-15(20-2-4-24-5-3-20)21(13(11)23)14(17)18/h6-7,14H,2-5H2,1H3
InChIKeyDSEGTTDODOTLGW-UHFFFAOYSA-N
MW341.29 g/mol
LogP1.97
Rot. Bonds3

About 8-acetyl-3-(difluoromethyl)-6-fluoro-2-morpholin-4-ylquinazolin-4-one

8-acetyl-3-(difluoromethyl)-6-fluoro-2-morpholin-4-ylquinazolin-4-one (PubChem CID 170753128) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is 8-acetyl-3-(difluoromethyl)-6-fluoro-2-morpholin-4-ylquinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-3-(difluoromethyl)-6-fluoro-2-morpholin-4-ylquinazolin-4-one
PubChem CID170753128
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC Name8-acetyl-3-(difluoromethyl)-6-fluoro-2-morpholin-4-ylquinazolin-4-one
SMILESCC(=O)c1cc(F)cc2c(=O)n(C(F)F)c(N3CCOCC3)nc12
InChIInChI=1S/C15H14F3N3O3/c1-8(22)10-6-9(16)7-11-12(10)19-15(20-2-4-24-5-3-20)21(13(11)23)14(17)18/h6-7,14H,2-5H2,1H3
InChIKeyDSEGTTDODOTLGW-UHFFFAOYSA-N
XLogP1.97
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-3-(difluoromethyl)-6-fluoro-2-morpholin-4-ylquinazolin-4-one?
The IUPAC name of 8-acetyl-3-(difluoromethyl)-6-fluoro-2-morpholin-4-ylquinazolin-4-one (CID 170753128) is 8-acetyl-3-(difluoromethyl)-6-fluoro-2-morpholin-4-ylquinazolin-4-one.
What is the SMILES notation for 8-acetyl-3-(difluoromethyl)-6-fluoro-2-morpholin-4-ylquinazolin-4-one?
The canonical SMILES for 8-acetyl-3-(difluoromethyl)-6-fluoro-2-morpholin-4-ylquinazolin-4-one is CC(=O)c1cc(F)cc2c(=O)n(C(F)F)c(N3CCOCC3)nc12.
What is the InChIKey of 8-acetyl-3-(difluoromethyl)-6-fluoro-2-morpholin-4-ylquinazolin-4-one?
The InChIKey is DSEGTTDODOTLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-8(22)10-6-9(16)7-11-12(10)19-15(20-2-4-24-5-3-20)21(13(11)23)14(17)18/h6-7,14H,2-5H2,1H3.
What are the key properties of 8-acetyl-3-(difluoromethyl)-6-fluoro-2-morpholin-4-ylquinazolin-4-one?
8-acetyl-3-(difluoromethyl)-6-fluoro-2-morpholin-4-ylquinazolin-4-one has a molecular weight of 341.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-3-(difluoromethyl)-6-fluoro-2-morpholin-4-ylquinazolin-4-one is sourced from PubChem (CID 170753128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).