3-(benzyliminomethyl)-2-(4-methoxyanilino)-9-methylpyrido[1,2-a]pyrimidin-4-one

C24H22N4O2 — CID 4151467

IUPAC3-(benzyliminomethyl)-2-(4-methoxyanilino)-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(Nc2nc3c(C)cccn3c(=O)c2/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C24H22N4O2/c1-17-7-6-14-28-23(17)27-22(26-19-10-12-20(30-2)13-11-19)21(24(28)29)16-25-15-18-8-4-3-5-9-18/h3-14,16,26H,15H2,1-2H3/b25-16+
InChIKeyDZOYBSMNPXWAPV-PCLIKHOPSA-N
MW398.47 g/mol
LogP4.37
Rot. Bonds6

About 3-(benzyliminomethyl)-2-(4-methoxyanilino)-9-methylpyrido[1,2-a]pyrimidin-4-one

3-(benzyliminomethyl)-2-(4-methoxyanilino)-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 4151467) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-(benzyliminomethyl)-2-(4-methoxyanilino)-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(benzyliminomethyl)-2-(4-methoxyanilino)-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID4151467
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name3-(benzyliminomethyl)-2-(4-methoxyanilino)-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(Nc2nc3c(C)cccn3c(=O)c2/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C24H22N4O2/c1-17-7-6-14-28-23(17)27-22(26-19-10-12-20(30-2)13-11-19)21(24(28)29)16-25-15-18-8-4-3-5-9-18/h3-14,16,26H,15H2,1-2H3/b25-16+
InChIKeyDZOYBSMNPXWAPV-PCLIKHOPSA-N
XLogP4.37
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(benzyliminomethyl)-2-(4-methoxyanilino)-9-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 3-(benzyliminomethyl)-2-(4-methoxyanilino)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(benzyliminomethyl)-2-(4-methoxyanilino)-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 4151467) is 3-(benzyliminomethyl)-2-(4-methoxyanilino)-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(benzyliminomethyl)-2-(4-methoxyanilino)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(benzyliminomethyl)-2-(4-methoxyanilino)-9-methylpyrido[1,2-a]pyrimidin-4-one is COc1ccc(Nc2nc3c(C)cccn3c(=O)c2/C=N/Cc2ccccc2)cc1.
What is the InChIKey of 3-(benzyliminomethyl)-2-(4-methoxyanilino)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DZOYBSMNPXWAPV-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-17-7-6-14-28-23(17)27-22(26-19-10-12-20(30-2)13-11-19)21(24(28)29)16-25-15-18-8-4-3-5-9-18/h3-14,16,26H,15H2,1-2H3/b25-16+.
What are the key properties of 3-(benzyliminomethyl)-2-(4-methoxyanilino)-9-methylpyrido[1,2-a]pyrimidin-4-one?
3-(benzyliminomethyl)-2-(4-methoxyanilino)-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 398.47 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzyliminomethyl)-2-(4-methoxyanilino)-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 4151467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).