2-[(N-ethyl-4-fluoroanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C18H18FN3O — CID 134489483

IUPAC2-[(N-ethyl-4-fluoroanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN(Cc1cc(=O)n2cc(C)ccc2n1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O/c1-3-21(16-7-5-14(19)6-8-16)12-15-10-18(23)22-11-13(2)4-9-17(22)20-15/h4-11H,3,12H2,1-2H3
InChIKeyRNWMPZDONLVVMQ-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.17
Rot. Bonds4

About 2-[(N-ethyl-4-fluoroanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[(N-ethyl-4-fluoroanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 134489483) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-[(N-ethyl-4-fluoroanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(N-ethyl-4-fluoroanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID134489483
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name2-[(N-ethyl-4-fluoroanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN(Cc1cc(=O)n2cc(C)ccc2n1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O/c1-3-21(16-7-5-14(19)6-8-16)12-15-10-18(23)22-11-13(2)4-9-17(22)20-15/h4-11H,3,12H2,1-2H3
InChIKeyRNWMPZDONLVVMQ-UHFFFAOYSA-N
XLogP3.17
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(N-ethyl-4-fluoroanilino)methyl]-7-methylpyrido[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 2-[(N-ethyl-4-fluoroanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(N-ethyl-4-fluoroanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 134489483) is 2-[(N-ethyl-4-fluoroanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(N-ethyl-4-fluoroanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(N-ethyl-4-fluoroanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is CCN(Cc1cc(=O)n2cc(C)ccc2n1)c1ccc(F)cc1.
What is the InChIKey of 2-[(N-ethyl-4-fluoroanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RNWMPZDONLVVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-3-21(16-7-5-14(19)6-8-16)12-15-10-18(23)22-11-13(2)4-9-17(22)20-15/h4-11H,3,12H2,1-2H3.
What are the key properties of 2-[(N-ethyl-4-fluoroanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(N-ethyl-4-fluoroanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 311.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-ethyl-4-fluoroanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 134489483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).