(5Z)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol

C29H26FNO5 — CID 11752131

About (5Z)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol

(5Z)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol (PubChem CID 11752131) has the molecular formula C29H26FNO5 and a molecular weight of 487.53 g/mol. Its IUPAC name is (5Z)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol.

Molecular Properties

• Compound Name: (5Z)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
• PubChem CID: 11752131
• Molecular Formula: C29H26FNO5
• Molecular Weight: 487.53 g/mol
• Exact Mass: 487.18
• IUPAC Name: (5Z)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
• SMILES: COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cc(F)cc4c1OCOC4)O2)C(C)=CC(C)(C)N3
• InChI: InChI=1S/C29H26FNO5/c1-15-12-29(2,3)31-20-6-5-19-25(24(15)20)23(36-22-8-7-21(32)28(33-4)26(19)22)11-16-9-18(30)10-17-13-34-14-35-27(16)17/h5-12,31-32H,13-14H2,1-4H3/b23-11-
• InChIKey: DZIMFFBTUZITGY-KSEXSDGBSA-N
• XLogP: 6.57
• TPSA: 69.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.53
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?

The IUPAC name of (5Z)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol (CID 11752131) is (5Z)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol.

What is the SMILES notation for (5Z)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?

The canonical SMILES for (5Z)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol is COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cc(F)cc4c1OCOC4)O2)C(C)=CC(C)(C)N3.

What is the InChIKey of (5Z)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?

The InChIKey is DZIMFFBTUZITGY-KSEXSDGBSA-N. The full InChI is InChI=1S/C29H26FNO5/c1-15-12-29(2,3)31-20-6-5-19-25(24(15)20)23(36-22-8-7-21(32)28(33-4)26(19)22)11-16-9-18(30)10-17-13-34-14-35-27(16)17/h5-12,31-32H,13-14H2,1-4H3/b23-11-.

What are the key properties of (5Z)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?

(5Z)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol has a molecular weight of 487.53 g/mol, XLogP of 6.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 11752131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).