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

C25H23N3O6 — CID 17250728

IUPACmethyl 1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccc(OC)cc1)c(=O)n2-c1cccc(OC)c1
InChIInChI=1S/C25H23N3O6/c1-15-12-20(24(30)34-4)21-22(26-15)28(17-6-5-7-19(13-17)33-3)25(31)27(23(21)29)14-16-8-10-18(32-2)11-9-16/h5-13H,14H2,1-4H3
InChIKeyYZGPOYGQUKPBCJ-UHFFFAOYSA-N
MW461.47 g/mol
LogP2.71
Rot. Bonds6

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

methyl 1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 17250728) has the molecular formula C25H23N3O6 and a molecular weight of 461.47 g/mol. Its IUPAC name is methyl 1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID17250728
Molecular FormulaC25H23N3O6
Molecular Weight461.47 g/mol
Exact Mass461.16
IUPAC Namemethyl 1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccc(OC)cc1)c(=O)n2-c1cccc(OC)c1
InChIInChI=1S/C25H23N3O6/c1-15-12-20(24(30)34-4)21-22(26-15)28(17-6-5-7-19(13-17)33-3)25(31)27(23(21)29)14-16-8-10-18(32-2)11-9-16/h5-13H,14H2,1-4H3
InChIKeyYZGPOYGQUKPBCJ-UHFFFAOYSA-N
XLogP2.71
TPSA101.65 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of methyl 1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (CID 17250728) is methyl 1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccc(OC)cc1)c(=O)n2-c1cccc(OC)c1.
What is the InChIKey of methyl 1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is YZGPOYGQUKPBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O6/c1-15-12-20(24(30)34-4)21-22(26-15)28(17-6-5-7-19(13-17)33-3)25(31)27(23(21)29)14-16-8-10-18(32-2)11-9-16/h5-13H,14H2,1-4H3.
What are the key properties of methyl 1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
methyl 1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 461.47 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 17250728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).