6-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one

C19H20FN3O — CID 134489478

IUPAC6-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cccc2nc(CN(CC)c3ccc(F)cc3)cc(=O)n12
InChIInChI=1S/C19H20FN3O/c1-3-16-6-5-7-18-21-15(12-19(24)23(16)18)13-22(4-2)17-10-8-14(20)9-11-17/h5-12H,3-4,13H2,1-2H3
InChIKeyJIQNNJMGUPDLAN-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.42
Rot. Bonds5

About 6-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one

6-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 134489478) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 6-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID134489478
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name6-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cccc2nc(CN(CC)c3ccc(F)cc3)cc(=O)n12
InChIInChI=1S/C19H20FN3O/c1-3-16-6-5-7-18-21-15(12-19(24)23(16)18)13-22(4-2)17-10-8-14(20)9-11-17/h5-12H,3-4,13H2,1-2H3
InChIKeyJIQNNJMGUPDLAN-UHFFFAOYSA-N
XLogP3.42
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[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 6-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 134489478) is 6-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one is CCc1cccc2nc(CN(CC)c3ccc(F)cc3)cc(=O)n12.
What is the InChIKey of 6-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JIQNNJMGUPDLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-3-16-6-5-7-18-21-15(12-19(24)23(16)18)13-22(4-2)17-10-8-14(20)9-11-17/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 6-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
6-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 325.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 134489478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).