8-acetyl-5-fluoro-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one

C16H18FN3O3 — CID 170753111

IUPAC8-acetyl-5-fluoro-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
SMILESCC(=O)c1cc(C)c(F)c2c(=O)n(C)c(N3CCOCC3)nc12
InChIInChI=1S/C16H18FN3O3/c1-9-8-11(10(2)21)14-12(13(9)17)15(22)19(3)16(18-14)20-4-6-23-7-5-20/h8H,4-7H2,1-3H3
InChIKeyGRZJHGYCOIHGPX-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.42
Rot. Bonds2

About 8-acetyl-5-fluoro-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one

8-acetyl-5-fluoro-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one (PubChem CID 170753111) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 8-acetyl-5-fluoro-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-5-fluoro-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
PubChem CID170753111
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name8-acetyl-5-fluoro-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
SMILESCC(=O)c1cc(C)c(F)c2c(=O)n(C)c(N3CCOCC3)nc12
InChIInChI=1S/C16H18FN3O3/c1-9-8-11(10(2)21)14-12(13(9)17)15(22)19(3)16(18-14)20-4-6-23-7-5-20/h8H,4-7H2,1-3H3
InChIKeyGRZJHGYCOIHGPX-UHFFFAOYSA-N
XLogP1.42
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-5-fluoro-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one?
The IUPAC name of 8-acetyl-5-fluoro-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one (CID 170753111) is 8-acetyl-5-fluoro-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one.
What is the SMILES notation for 8-acetyl-5-fluoro-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one?
The canonical SMILES for 8-acetyl-5-fluoro-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one is CC(=O)c1cc(C)c(F)c2c(=O)n(C)c(N3CCOCC3)nc12.
What is the InChIKey of 8-acetyl-5-fluoro-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one?
The InChIKey is GRZJHGYCOIHGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-9-8-11(10(2)21)14-12(13(9)17)15(22)19(3)16(18-14)20-4-6-23-7-5-20/h8H,4-7H2,1-3H3.
What are the key properties of 8-acetyl-5-fluoro-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one?
8-acetyl-5-fluoro-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one has a molecular weight of 319.34 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-5-fluoro-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one is sourced from PubChem (CID 170753111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).