9-(4-fluoro-3-methylphenoxy)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C19H18FN3O3 — CID 23586739

IUPAC9-(4-fluoro-3-methylphenoxy)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(Oc2cccn3c(=O)cc(N4CCOCC4)nc23)ccc1F
InChIInChI=1S/C19H18FN3O3/c1-13-11-14(4-5-15(13)20)26-16-3-2-6-23-18(24)12-17(21-19(16)23)22-7-9-25-10-8-22/h2-6,11-12H,7-10H2,1H3
InChIKeyKEXZCSUYKOIYHM-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.77
Rot. Bonds3

About 9-(4-fluoro-3-methylphenoxy)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

9-(4-fluoro-3-methylphenoxy)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 23586739) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 9-(4-fluoro-3-methylphenoxy)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-(4-fluoro-3-methylphenoxy)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID23586739
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name9-(4-fluoro-3-methylphenoxy)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(Oc2cccn3c(=O)cc(N4CCOCC4)nc23)ccc1F
InChIInChI=1S/C19H18FN3O3/c1-13-11-14(4-5-15(13)20)26-16-3-2-6-23-18(24)12-17(21-19(16)23)22-7-9-25-10-8-22/h2-6,11-12H,7-10H2,1H3
InChIKeyKEXZCSUYKOIYHM-UHFFFAOYSA-N
XLogP2.77
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(4-fluoro-3-methylphenoxy)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-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 9-(4-fluoro-3-methylphenoxy)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-(4-fluoro-3-methylphenoxy)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 23586739) is 9-(4-fluoro-3-methylphenoxy)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-(4-fluoro-3-methylphenoxy)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-(4-fluoro-3-methylphenoxy)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(Oc2cccn3c(=O)cc(N4CCOCC4)nc23)ccc1F.
What is the InChIKey of 9-(4-fluoro-3-methylphenoxy)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KEXZCSUYKOIYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-13-11-14(4-5-15(13)20)26-16-3-2-6-23-18(24)12-17(21-19(16)23)22-7-9-25-10-8-22/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 9-(4-fluoro-3-methylphenoxy)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
9-(4-fluoro-3-methylphenoxy)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 355.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluoro-3-methylphenoxy)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 23586739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).