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

C17H15N3O5 — CID 6625351

IUPACmethyl 5-(3-methoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(OC)c2)c2c(=O)[nH]c(=O)n(C)c2n1
InChIInChI=1S/C17H15N3O5/c1-20-14-13(15(21)19-17(20)23)11(8-12(18-14)16(22)25-3)9-5-4-6-10(7-9)24-2/h4-8H,1-3H3,(H,19,21,23)
InChIKeyBOFOIBVWTJKJQB-UHFFFAOYSA-N
MW341.32 g/mol
LogP1.08
Rot. Bonds3

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

methyl 5-(3-methoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate (PubChem CID 6625351) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is methyl 5-(3-methoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-methoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate
PubChem CID6625351
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Namemethyl 5-(3-methoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(OC)c2)c2c(=O)[nH]c(=O)n(C)c2n1
InChIInChI=1S/C17H15N3O5/c1-20-14-13(15(21)19-17(20)23)11(8-12(18-14)16(22)25-3)9-5-4-6-10(7-9)24-2/h4-8H,1-3H3,(H,19,21,23)
InChIKeyBOFOIBVWTJKJQB-UHFFFAOYSA-N
XLogP1.08
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-methoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate?
The IUPAC name of methyl 5-(3-methoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate (CID 6625351) is methyl 5-(3-methoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 5-(3-methoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 5-(3-methoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate is COC(=O)c1cc(-c2cccc(OC)c2)c2c(=O)[nH]c(=O)n(C)c2n1.
What is the InChIKey of methyl 5-(3-methoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate?
The InChIKey is BOFOIBVWTJKJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-20-14-13(15(21)19-17(20)23)11(8-12(18-14)16(22)25-3)9-5-4-6-10(7-9)24-2/h4-8H,1-3H3,(H,19,21,23).
What are the key properties of methyl 5-(3-methoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate?
methyl 5-(3-methoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate has a molecular weight of 341.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-methoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 6625351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).