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

C24H22N4O3 — CID 15992185

IUPAC2-(2-methoxyanilino)-3-[(2-methoxyphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccccc1/N=C/c1c(Nc2ccccc2OC)nc2c(C)cccn2c1=O
InChIInChI=1S/C24H22N4O3/c1-16-9-8-14-28-23(16)27-22(26-19-11-5-7-13-21(19)31-3)17(24(28)29)15-25-18-10-4-6-12-20(18)30-2/h4-15,26H,1-3H3/b25-15+
InChIKeyUSPMDQLAXFEYJF-MFKUBSTISA-N
MW414.47 g/mol
LogP4.51
Rot. Bonds6

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

2-(2-methoxyanilino)-3-[(2-methoxyphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 15992185) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-3-[(2-methoxyphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-methoxyanilino)-3-[(2-methoxyphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID15992185
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name2-(2-methoxyanilino)-3-[(2-methoxyphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccccc1/N=C/c1c(Nc2ccccc2OC)nc2c(C)cccn2c1=O
InChIInChI=1S/C24H22N4O3/c1-16-9-8-14-28-23(16)27-22(26-19-11-5-7-13-21(19)31-3)17(24(28)29)15-25-18-10-4-6-12-20(18)30-2/h4-15,26H,1-3H3/b25-15+
InChIKeyUSPMDQLAXFEYJF-MFKUBSTISA-N
XLogP4.51
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethylanilino)-3-[(2,4-dimethylphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 4080507
2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 4638153
3-[(Z)-hydroxyiminomethyl]-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one
CID 136851982
2-[(4-methoxyphenyl)methylamino]-3-[(4-methoxyphenyl)methyliminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 1189624
2-[4-(difluoromethylsulfanyl)anilino]-9-methyl-3-[(4-nitrophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
CID 21235720
2-(2-hydroxyethylamino)-3-[(Z)-hydroxyiminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 136904756
9-methyl-3-(phenyliminomethyl)-2-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one
CID 21178542
3-(butan-2-yliminomethyl)-2-(3-chloroanilino)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 21237341
9-methyl-2-[(4-methylphenyl)methylamino]-3-[(4-methylphenyl)methyliminomethyl]pyrido[1,2-a]pyrimidin-4-one
CID 2149733
[3-[(3-formyl-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]phenyl]chloranium
CID 163765969
2-(3-fluoroanilino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 53330912
2-(2-fluoroanilino)-9-methyl-3-(nitrosomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 91897489

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-3-[(2-methoxyphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-methoxyanilino)-3-[(2-methoxyphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 15992185) is 2-(2-methoxyanilino)-3-[(2-methoxyphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-methoxyanilino)-3-[(2-methoxyphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-methoxyanilino)-3-[(2-methoxyphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is COc1ccccc1/N=C/c1c(Nc2ccccc2OC)nc2c(C)cccn2c1=O.
What is the InChIKey of 2-(2-methoxyanilino)-3-[(2-methoxyphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is USPMDQLAXFEYJF-MFKUBSTISA-N. The full InChI is InChI=1S/C24H22N4O3/c1-16-9-8-14-28-23(16)27-22(26-19-11-5-7-13-21(19)31-3)17(24(28)29)15-25-18-10-4-6-12-20(18)30-2/h4-15,26H,1-3H3/b25-15+.
What are the key properties of 2-(2-methoxyanilino)-3-[(2-methoxyphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-(2-methoxyanilino)-3-[(2-methoxyphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 414.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-3-[(2-methoxyphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 15992185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).