9-[1-(4-fluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C21H23FN4O2 — CID 66839794

IUPAC9-[1-(4-fluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C(C)Nc2ccc(F)cc2)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C21H23FN4O2/c1-14-11-18(15(2)23-17-5-3-16(22)4-6-17)21-24-19(12-20(27)26(21)13-14)25-7-9-28-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3
InChIKeyKJQNZPUIHHINMX-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.15
Rot. Bonds4

About 9-[1-(4-fluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

9-[1-(4-fluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 66839794) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 9-[1-(4-fluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[1-(4-fluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID66839794
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name9-[1-(4-fluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C(C)Nc2ccc(F)cc2)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C21H23FN4O2/c1-14-11-18(15(2)23-17-5-3-16(22)4-6-17)21-24-19(12-20(27)26(21)13-14)25-7-9-28-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3
InChIKeyKJQNZPUIHHINMX-UHFFFAOYSA-N
XLogP3.15
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[1-(4-fluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[1-(4-fluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 66839794) is 9-[1-(4-fluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[1-(4-fluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[1-(4-fluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(C(C)Nc2ccc(F)cc2)c2nc(N3CCOCC3)cc(=O)n2c1.
What is the InChIKey of 9-[1-(4-fluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KJQNZPUIHHINMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-14-11-18(15(2)23-17-5-3-16(22)4-6-17)21-24-19(12-20(27)26(21)13-14)25-7-9-28-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3.
What are the key properties of 9-[1-(4-fluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
9-[1-(4-fluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 382.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(4-fluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 66839794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).