3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one

C17H16N2O4 — CID 122203485

IUPAC3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(-c2cnc3ccccn3c2=O)cc(OC)c1OC
InChIInChI=1S/C17H16N2O4/c1-21-13-8-11(9-14(22-2)16(13)23-3)12-10-18-15-6-4-5-7-19(15)17(12)20/h4-10H,1-3H3
InChIKeyVMBVDGADOJPRFL-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.39
Rot. Bonds4

About 3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one

3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 122203485) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID122203485
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(-c2cnc3ccccn3c2=O)cc(OC)c1OC
InChIInChI=1S/C17H16N2O4/c1-21-13-8-11(9-14(22-2)16(13)23-3)12-10-18-15-6-4-5-7-19(15)17(12)20/h4-10H,1-3H3
InChIKeyVMBVDGADOJPRFL-UHFFFAOYSA-N
XLogP2.39
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3,4,5-trimethoxyphenyl)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

Related Compounds

N-(3,4-dimethoxyphenethyl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16010497
3-(3,4-Dimethoxyphenyl)-8-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 71711610
2-(3,4-Dimethoxyphenyl)-3-phenyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 76331965
(2-phenyl-4,5-dihydro-1H-imidazol-1-yl)(3,4,5-trimethoxyphenyl)methanone
CID 777296
2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 42886689
3-(3-Methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 122203482
2-(3,4,5-Trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 122393958
3-(1,3-Benzodioxol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 134135279
3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 42643705
3-(3,4-Dimethoxyphenyl)-2-(4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 76313832
3-(3,4-Dimethoxyphenyl)-2-phenylpyrido[1,2-a]pyrimidin-4-one
CID 76321073
2-(3,4-Dimethoxyphenyl)-3-(4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 76328277

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one (CID 122203485) is 3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one is COc1cc(-c2cnc3ccccn3c2=O)cc(OC)c1OC.
What is the InChIKey of 3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VMBVDGADOJPRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-21-13-8-11(9-14(22-2)16(13)23-3)12-10-18-15-6-4-5-7-19(15)17(12)20/h4-10H,1-3H3.
What are the key properties of 3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one?
3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 312.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 122203485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).