1-methoxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione

C24H21NO6 — CID 46185196

IUPAC1-methoxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cc(C2=C(c3ccc4ccccc4c3)C(=O)N(OC)C2=O)cc(OC)c1OC
InChIInChI=1S/C24H21NO6/c1-28-18-12-17(13-19(29-2)22(18)30-3)21-20(23(26)25(31-4)24(21)27)16-10-9-14-7-5-6-8-15(14)11-16/h5-13H,1-4H3
InChIKeyQBUQMIIJQBZDLG-UHFFFAOYSA-N
MW419.43 g/mol
LogP3.71
Rot. Bonds6

About 1-methoxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione

1-methoxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione (PubChem CID 46185196) has the molecular formula C24H21NO6 and a molecular weight of 419.43 g/mol. Its IUPAC name is 1-methoxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-methoxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
PubChem CID46185196
Molecular FormulaC24H21NO6
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name1-methoxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cc(C2=C(c3ccc4ccccc4c3)C(=O)N(OC)C2=O)cc(OC)c1OC
InChIInChI=1S/C24H21NO6/c1-28-18-12-17(13-19(29-2)22(18)30-3)21-20(23(26)25(31-4)24(21)27)16-10-9-14-7-5-6-8-15(14)11-16/h5-13H,1-4H3
InChIKeyQBUQMIIJQBZDLG-UHFFFAOYSA-N
XLogP3.71
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-methoxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione (CID 46185196) is 1-methoxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-methoxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-methoxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione is COc1cc(C2=C(c3ccc4ccccc4c3)C(=O)N(OC)C2=O)cc(OC)c1OC.
What is the InChIKey of 1-methoxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The InChIKey is QBUQMIIJQBZDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO6/c1-28-18-12-17(13-19(29-2)22(18)30-3)21-20(23(26)25(31-4)24(21)27)16-10-9-14-7-5-6-8-15(14)11-16/h5-13H,1-4H3.
What are the key properties of 1-methoxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
1-methoxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione has a molecular weight of 419.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 46185196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).