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

C20H17ClN2O5 — CID 4870628

IUPAC7-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCOc1ccc(C2=NOC3(CC(=O)N(c4ccc(Cl)cc4)C3=O)C2)cc1OC
InChIInChI=1S/C20H17ClN2O5/c1-26-16-8-3-12(9-17(16)27-2)15-10-20(28-22-15)11-18(24)23(19(20)25)14-6-4-13(21)5-7-14/h3-9H,10-11H2,1-2H3
InChIKeyOQUBBEHABWXFBA-UHFFFAOYSA-N
MW400.82 g/mol
LogP3.18
Rot. Bonds4

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

7-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (PubChem CID 4870628) has the molecular formula C20H17ClN2O5 and a molecular weight of 400.82 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.

Molecular Properties

Compound Name7-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
PubChem CID4870628
Molecular FormulaC20H17ClN2O5
Molecular Weight400.82 g/mol
Exact Mass400.08
IUPAC Name7-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCOc1ccc(C2=NOC3(CC(=O)N(c4ccc(Cl)cc4)C3=O)C2)cc1OC
InChIInChI=1S/C20H17ClN2O5/c1-26-16-8-3-12(9-17(16)27-2)15-10-20(28-22-15)11-18(24)23(19(20)25)14-6-4-13(21)5-7-14/h3-9H,10-11H2,1-2H3
InChIKeyOQUBBEHABWXFBA-UHFFFAOYSA-N
XLogP3.18
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4899988
(5S)-7-(4-chlorophenyl)-3-(2,3,4-trimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 51972919
2-[4-[7-(3-chlorophenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy]acetonitrile
CID 4912334
3-(3,4-dimethoxyphenyl)-7-(2,3-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4903307
7-(3,5-dichlorophenyl)-3-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 14938698
3-(3-cyclopentyloxy-4-methoxyphenyl)-7-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 59550970
(5R)-3-(4-chlorophenyl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7597362
7-(3-chlorophenyl)-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 15176093
3-(3,4-dimethoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-one
CID 58115383
3-(3,4-dimethoxyphenyl)-5-ethyl-5-methanidyl-4H-1,2-oxazole;tungsten(2+)
CID 59649933
(4-chlorophenyl)-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]methanone
CID 71203505
(4Z)-1-(4-chlorophenyl)-4-[4-(3,4-dimethoxyphenyl)-3H-1,3-thiazol-2-ylidene]-5-iminopyrrolidin-2-one
CID 135812406

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The IUPAC name of 7-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (CID 4870628) is 7-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.
What is the SMILES notation for 7-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The canonical SMILES for 7-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is COc1ccc(C2=NOC3(CC(=O)N(c4ccc(Cl)cc4)C3=O)C2)cc1OC.
What is the InChIKey of 7-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The InChIKey is OQUBBEHABWXFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O5/c1-26-16-8-3-12(9-17(16)27-2)15-10-20(28-22-15)11-18(24)23(19(20)25)14-6-4-13(21)5-7-14/h3-9H,10-11H2,1-2H3.
What are the key properties of 7-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
7-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione has a molecular weight of 400.82 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is sourced from PubChem (CID 4870628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).