2-[(2,3-dimethoxyphenyl)methylidene]-9-(1-methyl-2-oxoquinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C30H23NO7 — CID 163079688

About 2-[(2,3-dimethoxyphenyl)methylidene]-9-(1-methyl-2-oxoquinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

2-[(2,3-dimethoxyphenyl)methylidene]-9-(1-methyl-2-oxoquinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 163079688) has the molecular formula C30H23NO7 and a molecular weight of 509.51 g/mol. Its IUPAC name is 2-[(2,3-dimethoxyphenyl)methylidene]-9-(1-methyl-2-oxoquinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

• Compound Name: 2-[(2,3-dimethoxyphenyl)methylidene]-9-(1-methyl-2-oxoquinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• PubChem CID: 163079688
• Molecular Formula: C30H23NO7
• Molecular Weight: 509.51 g/mol
• Exact Mass: 509.15
• IUPAC Name: 2-[(2,3-dimethoxyphenyl)methylidene]-9-(1-methyl-2-oxoquinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• SMILES: COc1cccc(C=C2Oc3c(ccc4c3C(c3cc5ccccc5n(C)c3=O)CC(=O)O4)C2=O)c1OC
• InChI: InChI=1S/C30H23NO7/c1-31-21-9-5-4-7-16(21)13-20(30(31)34)19-15-25(32)37-22-12-11-18-27(33)24(38-29(18)26(19)22)14-17-8-6-10-23(35-2)28(17)36-3/h4-14,19H,15H2,1-3H3
• InChIKey: BUFHVOIFNGXIKQ-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 93.06 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.51
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	0
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 2-[(2,3-dimethoxyphenyl)methylidene]-9-(1-methyl-2-oxoquinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The IUPAC name of 2-[(2,3-dimethoxyphenyl)methylidene]-9-(1-methyl-2-oxoquinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 163079688) is 2-[(2,3-dimethoxyphenyl)methylidene]-9-(1-methyl-2-oxoquinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

What is the SMILES notation for 2-[(2,3-dimethoxyphenyl)methylidene]-9-(1-methyl-2-oxoquinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The canonical SMILES for 2-[(2,3-dimethoxyphenyl)methylidene]-9-(1-methyl-2-oxoquinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1cccc(C=C2Oc3c(ccc4c3C(c3cc5ccccc5n(C)c3=O)CC(=O)O4)C2=O)c1OC.

What is the InChIKey of 2-[(2,3-dimethoxyphenyl)methylidene]-9-(1-methyl-2-oxoquinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The InChIKey is BUFHVOIFNGXIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23NO7/c1-31-21-9-5-4-7-16(21)13-20(30(31)34)19-15-25(32)37-22-12-11-18-27(33)24(38-29(18)26(19)22)14-17-8-6-10-23(35-2)28(17)36-3/h4-14,19H,15H2,1-3H3.

What are the key properties of 2-[(2,3-dimethoxyphenyl)methylidene]-9-(1-methyl-2-oxoquinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

2-[(2,3-dimethoxyphenyl)methylidene]-9-(1-methyl-2-oxoquinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 509.51 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,3-dimethoxyphenyl)methylidene]-9-(1-methyl-2-oxoquinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 163079688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).