3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione

C24H22FN3O4 — CID 41240794

About 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione

3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 41240794) has the molecular formula C24H22FN3O4 and a molecular weight of 435.46 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
• PubChem CID: 41240794
• Molecular Formula: C24H22FN3O4
• Molecular Weight: 435.46 g/mol
• Exact Mass: 435.16
• IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
• SMILES: COc1ccc(CCn2c(=O)c3ncccc3n(Cc3ccc(F)cc3)c2=O)cc1OC
• InChI: InChI=1S/C24H22FN3O4/c1-31-20-10-7-16(14-21(20)32-2)11-13-27-23(29)22-19(4-3-12-26-22)28(24(27)30)15-17-5-8-18(25)9-6-17/h3-10,12,14H,11,13,15H2,1-2H3
• InChIKey: CZPFHFZIHLUBEO-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 75.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.46
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?

The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione (CID 41240794) is 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione.

What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?

The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione is COc1ccc(CCn2c(=O)c3ncccc3n(Cc3ccc(F)cc3)c2=O)cc1OC.

What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?

The InChIKey is CZPFHFZIHLUBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4/c1-31-20-10-7-16(14-21(20)32-2)11-13-27-23(29)22-19(4-3-12-26-22)28(24(27)30)15-17-5-8-18(25)9-6-17/h3-10,12,14H,11,13,15H2,1-2H3.

What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?

3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 435.46 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 41240794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).