2-(3,4-dimethoxyphenyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one

C17H16N2O4 — CID 146523465

IUPAC2-(3,4-dimethoxyphenyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccn2c(=O)cc(-c3ccc(OC)c(OC)c3)nc2c1
InChIInChI=1S/C17H16N2O4/c1-21-12-6-7-19-16(9-12)18-13(10-17(19)20)11-4-5-14(22-2)15(8-11)23-3/h4-10H,1-3H3
InChIKeyKDDQCFPIMIUIJY-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.39
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one

2-(3,4-dimethoxyphenyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 146523465) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID146523465
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-(3,4-dimethoxyphenyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccn2c(=O)cc(-c3ccc(OC)c(OC)c3)nc2c1
InChIInChI=1S/C17H16N2O4/c1-21-12-6-7-19-16(9-12)18-13(10-17(19)20)11-4-5-14(22-2)15(8-11)23-3/h4-10H,1-3H3
InChIKeyKDDQCFPIMIUIJY-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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Related Compounds

2-(4-methoxyphenyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 10730461
7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 145200029
7-(2-aminoethylamino)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 142511343
8-methyl-2-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 10586774
2-phenyl-8-propoxypyrido[1,2-a]pyrimidin-4-one
CID 58425404
8-methoxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054719
2-(3,4-dimethoxyphenyl)-7-(3,5-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 123359713
6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one
CID 7659900
2-(3,4-dimethoxyphenyl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 159440378
6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid
CID 125488706
8-methoxy-2-phenylpyrido[1,2-a][1,3,5]triazin-4-one
CID 132508794
2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridine
CID 622689

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one (CID 146523465) is 2-(3,4-dimethoxyphenyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one is COc1ccn2c(=O)cc(-c3ccc(OC)c(OC)c3)nc2c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KDDQCFPIMIUIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-21-12-6-7-19-16(9-12)18-13(10-17(19)20)11-4-5-14(22-2)15(8-11)23-3/h4-10H,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one?
2-(3,4-dimethoxyphenyl)-8-methoxypyrido[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-dimethoxyphenyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 146523465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).