6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one

C13H14FN3O2 — CID 164995242

IUPAC6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one
SMILESCc1cc(F)cc2c(=O)[nH]c(N3CCOCC3)nc12
InChIInChI=1S/C13H14FN3O2/c1-8-6-9(14)7-10-11(8)15-13(16-12(10)18)17-2-4-19-5-3-17/h6-7H,2-5H2,1H3,(H,15,16,18)
InChIKeyHLQBPYNZBCHRRZ-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.21
Rot. Bonds1

About 6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one

6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one (PubChem CID 164995242) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one
PubChem CID164995242
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one
SMILESCc1cc(F)cc2c(=O)[nH]c(N3CCOCC3)nc12
InChIInChI=1S/C13H14FN3O2/c1-8-6-9(14)7-10-11(8)15-13(16-12(10)18)17-2-4-19-5-3-17/h6-7H,2-5H2,1H3,(H,15,16,18)
InChIKeyHLQBPYNZBCHRRZ-UHFFFAOYSA-N
XLogP1.21
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one?
The IUPAC name of 6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one (CID 164995242) is 6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one.
What is the SMILES notation for 6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one?
The canonical SMILES for 6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one is Cc1cc(F)cc2c(=O)[nH]c(N3CCOCC3)nc12.
What is the InChIKey of 6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one?
The InChIKey is HLQBPYNZBCHRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-8-6-9(14)7-10-11(8)15-13(16-12(10)18)17-2-4-19-5-3-17/h6-7H,2-5H2,1H3,(H,15,16,18).
What are the key properties of 6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one?
6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one has a molecular weight of 263.27 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one is sourced from PubChem (CID 164995242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).