ethyl 7-methyl-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

C20H23N3O7 — CID 2920231

IUPACethyl 7-methyl-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2C1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H23N3O7/c1-6-30-19(25)13-9(2)21-17-15(18(24)23-20(26)22-17)14(13)10-7-11(27-3)16(29-5)12(8-10)28-4/h7-8,14H,6H2,1-5H3,(H3,21,22,23,24,26)
InChIKeyZECAFJMGYGHRQQ-UHFFFAOYSA-N
MW417.42 g/mol
LogP1.48
Rot. Bonds6

About ethyl 7-methyl-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 7-methyl-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 2920231) has the molecular formula C20H23N3O7 and a molecular weight of 417.42 g/mol. Its IUPAC name is ethyl 7-methyl-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID2920231
Molecular FormulaC20H23N3O7
Molecular Weight417.42 g/mol
Exact Mass417.15
IUPAC Nameethyl 7-methyl-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2C1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H23N3O7/c1-6-30-19(25)13-9(2)21-17-15(18(24)23-20(26)22-17)14(13)10-7-11(27-3)16(29-5)12(8-10)28-4/h7-8,14H,6H2,1-5H3,(H3,21,22,23,24,26)
InChIKeyZECAFJMGYGHRQQ-UHFFFAOYSA-N
XLogP1.48
TPSA131.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-methyl-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate (CID 2920231) is ethyl 7-methyl-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-methyl-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-methyl-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2C1c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of ethyl 7-methyl-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is ZECAFJMGYGHRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O7/c1-6-30-19(25)13-9(2)21-17-15(18(24)23-20(26)22-17)14(13)10-7-11(27-3)16(29-5)12(8-10)28-4/h7-8,14H,6H2,1-5H3,(H3,21,22,23,24,26).
What are the key properties of ethyl 7-methyl-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 7-methyl-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 417.42 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 2920231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).