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

C17H16N2O4 — CID 122393958

IUPAC2-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(-c2cc(=O)n3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C17H16N2O4/c1-21-13-8-11(9-14(22-2)17(13)23-3)12-10-16(20)19-7-5-4-6-15(19)18-12/h4-10H,1-3H3
InChIKeyQTLXLEUDLPKISQ-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.39
Rot. Bonds4

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

2-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 122393958) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID122393958
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(-c2cc(=O)n3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C17H16N2O4/c1-21-13-8-11(9-14(22-2)17(13)23-3)12-10-16(20)19-7-5-4-6-15(19)18-12/h4-10H,1-3H3
InChIKeyQTLXLEUDLPKISQ-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one (CID 122393958) is 2-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one is COc1cc(-c2cc(=O)n3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of 2-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QTLXLEUDLPKISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-21-13-8-11(9-14(22-2)17(13)23-3)12-10-16(20)19-7-5-4-6-15(19)18-12/h4-10H,1-3H3.
What are the key properties of 2-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one?
2-(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 2-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 122393958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).