3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione

C20H17FN2O5 — CID 4889864

IUPAC3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCOc1ccc(C2=NOC3(CC(=O)N(c4ccc(F)cc4)C3=O)C2)c(OC)c1
InChIInChI=1S/C20H17FN2O5/c1-26-14-7-8-15(17(9-14)27-2)16-10-20(28-22-16)11-18(24)23(19(20)25)13-5-3-12(21)4-6-13/h3-9H,10-11H2,1-2H3
InChIKeyARFZPUVDFSOGPP-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.67
Rot. Bonds4

About 3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione

3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (PubChem CID 4889864) has the molecular formula C20H17FN2O5 and a molecular weight of 384.36 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
PubChem CID4889864
Molecular FormulaC20H17FN2O5
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCOc1ccc(C2=NOC3(CC(=O)N(c4ccc(F)cc4)C3=O)C2)c(OC)c1
InChIInChI=1S/C20H17FN2O5/c1-26-14-7-8-15(17(9-14)27-2)16-10-20(28-22-16)11-18(24)23(19(20)25)13-5-3-12(21)4-6-13/h3-9H,10-11H2,1-2H3
InChIKeyARFZPUVDFSOGPP-UHFFFAOYSA-N
XLogP2.67
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (CID 4889864) is 3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is COc1ccc(C2=NOC3(CC(=O)N(c4ccc(F)cc4)C3=O)C2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The InChIKey is ARFZPUVDFSOGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O5/c1-26-14-7-8-15(17(9-14)27-2)16-10-20(28-22-16)11-18(24)23(19(20)25)13-5-3-12(21)4-6-13/h3-9H,10-11H2,1-2H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione has a molecular weight of 384.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is sourced from PubChem (CID 4889864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).