ethyl 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate

C19H19N3O4 — CID 6620016

IUPACethyl 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)n(Cc2ccc(C)cc2)c(=O)c2cccnc21
InChIInChI=1S/C19H19N3O4/c1-3-26-16(23)12-21-17-15(5-4-10-20-17)18(24)22(19(21)25)11-14-8-6-13(2)7-9-14/h4-10H,3,11-12H2,1-2H3
InChIKeyRCTNJRXWDWDQMX-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.48
Rot. Bonds5

About ethyl 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate

ethyl 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate (PubChem CID 6620016) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is ethyl 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate
PubChem CID6620016
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Nameethyl 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)n(Cc2ccc(C)cc2)c(=O)c2cccnc21
InChIInChI=1S/C19H19N3O4/c1-3-26-16(23)12-21-17-15(5-4-10-20-17)18(24)22(19(21)25)11-14-8-6-13(2)7-9-14/h4-10H,3,11-12H2,1-2H3
InChIKeyRCTNJRXWDWDQMX-UHFFFAOYSA-N
XLogP1.48
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate (CID 6620016) is ethyl 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate is CCOC(=O)Cn1c(=O)n(Cc2ccc(C)cc2)c(=O)c2cccnc21.
What is the InChIKey of ethyl 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate?
The InChIKey is RCTNJRXWDWDQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-3-26-16(23)12-21-17-15(5-4-10-20-17)18(24)22(19(21)25)11-14-8-6-13(2)7-9-14/h4-10H,3,11-12H2,1-2H3.
What are the key properties of ethyl 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate?
ethyl 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate has a molecular weight of 353.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate is sourced from PubChem (CID 6620016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).