(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate

C20H20N2O6 — CID 7679170

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)c(OC)c1OC
InChIInChI=1S/C20H20N2O6/c1-12-5-8-16-21-13(9-17(23)22(16)10-12)11-28-20(24)14-6-7-15(25-2)19(27-4)18(14)26-3/h5-10H,11H2,1-4H3
InChIKeyRUDHQODEMXSBCG-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.39
Rot. Bonds6

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate (PubChem CID 7679170) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate
PubChem CID7679170
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)c(OC)c1OC
InChIInChI=1S/C20H20N2O6/c1-12-5-8-16-21-13(9-17(23)22(16)10-12)11-28-20(24)14-6-7-15(25-2)19(27-4)18(14)26-3/h5-10H,11H2,1-4H3
InChIKeyRUDHQODEMXSBCG-UHFFFAOYSA-N
XLogP2.39
TPSA88.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(7-Bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3,4-dimethoxyphenyl)acetate
CID 2429966
{5-Oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 3,4,5-trimethoxybenzoate
CID 2653827
3-(3,4,5-Trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 122203485
3-Ethoxy-4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzaldehyde
CID 2087618
(7-Bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,6-dimethoxybenzoate
CID 2079071
(7-Bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1,3-benzodioxole-5-carboxylate
CID 2469055
[3-(Cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2,3,4-trimethoxybenzoate
CID 2421564
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 7542886
2-(2-(3,4-dimethoxyphenyl)-2-oxoethoxy)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 44117946
[7-Chloro-4-oxo-3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]pyrimidin-2-yl]methyl acetate
CID 101543145
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 7680304
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(difluoromethoxy)benzoate
CID 7680310

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate (CID 7679170) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate is COc1ccc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)c(OC)c1OC.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate?
The InChIKey is RUDHQODEMXSBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-12-5-8-16-21-13(9-17(23)22(16)10-12)11-28-20(24)14-6-7-15(25-2)19(27-4)18(14)26-3/h5-10H,11H2,1-4H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate has a molecular weight of 384.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate is sourced from PubChem (CID 7679170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).