methyl 5-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate

C18H17N3O6 — CID 5301555

IUPACmethyl 5-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)c2c(=O)[nH]c(=O)n(C)c2n1
InChIInChI=1S/C18H17N3O6/c1-21-15-14(16(22)20-18(21)24)10(8-11(19-15)17(23)27-4)9-5-6-12(25-2)13(7-9)26-3/h5-8H,1-4H3,(H,20,22,24)
InChIKeyYQGXUNLGJRJGIP-UHFFFAOYSA-N
MW371.35 g/mol
LogP1.09
Rot. Bonds4

About methyl 5-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate

methyl 5-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate (PubChem CID 5301555) has the molecular formula C18H17N3O6 and a molecular weight of 371.35 g/mol. Its IUPAC name is methyl 5-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate
PubChem CID5301555
Molecular FormulaC18H17N3O6
Molecular Weight371.35 g/mol
Exact Mass371.11
IUPAC Namemethyl 5-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)c2c(=O)[nH]c(=O)n(C)c2n1
InChIInChI=1S/C18H17N3O6/c1-21-15-14(16(22)20-18(21)24)10(8-11(19-15)17(23)27-4)9-5-6-12(25-2)13(7-9)26-3/h5-8H,1-4H3,(H,20,22,24)
InChIKeyYQGXUNLGJRJGIP-UHFFFAOYSA-N
XLogP1.09
TPSA112.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate?
The IUPAC name of methyl 5-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate (CID 5301555) is methyl 5-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 5-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 5-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate is COC(=O)c1cc(-c2ccc(OC)c(OC)c2)c2c(=O)[nH]c(=O)n(C)c2n1.
What is the InChIKey of methyl 5-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate?
The InChIKey is YQGXUNLGJRJGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6/c1-21-15-14(16(22)20-18(21)24)10(8-11(19-15)17(23)27-4)9-5-6-12(25-2)13(7-9)26-3/h5-8H,1-4H3,(H,20,22,24).
What are the key properties of methyl 5-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate?
methyl 5-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate has a molecular weight of 371.35 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 5301555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).