2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide

C25H23FN4O5 — CID 27444630

IUPAC2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESCOc1ccc(CCn2c(=O)c3ncccc3n(CC(=O)Nc3cccc(F)c3)c2=O)cc1OC
InChIInChI=1S/C25H23FN4O5/c1-34-20-9-8-16(13-21(20)35-2)10-12-29-24(32)23-19(7-4-11-27-23)30(25(29)33)15-22(31)28-18-6-3-5-17(26)14-18/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,28,31)
InChIKeyQNNSZOMIMOULRD-UHFFFAOYSA-N
MW478.48 g/mol
LogP2.60
Rot. Bonds8

About 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide

2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 27444630) has the molecular formula C25H23FN4O5 and a molecular weight of 478.48 g/mol. Its IUPAC name is 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID27444630
Molecular FormulaC25H23FN4O5
Molecular Weight478.48 g/mol
Exact Mass478.17
IUPAC Name2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESCOc1ccc(CCn2c(=O)c3ncccc3n(CC(=O)Nc3cccc(F)c3)c2=O)cc1OC
InChIInChI=1S/C25H23FN4O5/c1-34-20-9-8-16(13-21(20)35-2)10-12-29-24(32)23-19(7-4-11-27-23)30(25(29)33)15-22(31)28-18-6-3-5-17(26)14-18/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,28,31)
InChIKeyQNNSZOMIMOULRD-UHFFFAOYSA-N
XLogP2.60
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide (CID 27444630) is 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide is COc1ccc(CCn2c(=O)c3ncccc3n(CC(=O)Nc3cccc(F)c3)c2=O)cc1OC.
What is the InChIKey of 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is QNNSZOMIMOULRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O5/c1-34-20-9-8-16(13-21(20)35-2)10-12-29-24(32)23-19(7-4-11-27-23)30(25(29)33)15-22(31)28-18-6-3-5-17(26)14-18/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,28,31).
What are the key properties of 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide?
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 478.48 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 27444630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).