(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(6-methoxy-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C30H21NO8 — CID 110207267

About (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(6-methoxy-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(6-methoxy-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 110207267) has the molecular formula C30H21NO8 and a molecular weight of 523.50 g/mol. Its IUPAC name is (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(6-methoxy-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

• Compound Name: (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(6-methoxy-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• PubChem CID: 110207267
• Molecular Formula: C30H21NO8
• Molecular Weight: 523.50 g/mol
• Exact Mass: 523.13
• IUPAC Name: (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(6-methoxy-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• SMILES: COc1ccc2[nH]c(=O)c(C3CC(=O)Oc4ccc5c(c43)O/C(=C\c3ccc4c(c3)OCCO4)C5=O)cc2c1
• InChI: InChI=1S/C30H21NO8/c1-35-17-3-5-21-16(12-17)13-20(30(34)31-21)19-14-26(32)38-23-7-4-18-28(33)25(39-29(18)27(19)23)11-15-2-6-22-24(10-15)37-9-8-36-22/h2-7,10-13,19H,8-9,14H2,1H3,(H,31,34)/b25-11-
• InChIKey: PURAYRSECVKSTK-GATIEOLUSA-N
• XLogP: 4.37
• TPSA: 113.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.50
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(6-methoxy-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The IUPAC name of (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(6-methoxy-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 110207267) is (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(6-methoxy-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

What is the SMILES notation for (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(6-methoxy-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The canonical SMILES for (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(6-methoxy-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccc2[nH]c(=O)c(C3CC(=O)Oc4ccc5c(c43)O/C(=C\c3ccc4c(c3)OCCO4)C5=O)cc2c1.

What is the InChIKey of (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(6-methoxy-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The InChIKey is PURAYRSECVKSTK-GATIEOLUSA-N. The full InChI is InChI=1S/C30H21NO8/c1-35-17-3-5-21-16(12-17)13-20(30(34)31-21)19-14-26(32)38-23-7-4-18-28(33)25(39-29(18)27(19)23)11-15-2-6-22-24(10-15)37-9-8-36-22/h2-7,10-13,19H,8-9,14H2,1H3,(H,31,34)/b25-11-.

What are the key properties of (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(6-methoxy-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(6-methoxy-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 523.50 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(6-methoxy-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 110207267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).