2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine

C₂₆H₁₈FN₃O — CID 154574354

About 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine

2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine (PubChem CID 154574354) has the molecular formula C₂₆H₁₈FN₃O and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine.

Molecular Properties

• Compound Name: 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine
• PubChem CID: 154574354
• Molecular Formula: C₂₆H₁₈FN₃O
• Molecular Weight: 407.45 g/mol
• Exact Mass: 407.14
• IUPAC Name: 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine
• SMILES: Cc1ccc2c(c1)N=Cc1cc3cc(-n4ccc5cc(C)c(F)cc54)ccc3nc1O2
• InChI: InChI=1S/C26H18FN3O/c1-15-3-6-25-23(9-15)28-14-19-11-18-12-20(4-5-22(18)29-26(19)31-25)30-8-7-17-10-16(2)21(27)13-24(17)30/h3-14H,1-2H3
• InChIKey: RIWKXFGXBMJVPQ-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 39.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.45
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine?

The IUPAC name of 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine (CID 154574354) is 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine.

What is the SMILES notation for 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine?

The canonical SMILES for 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine is Cc1ccc2c(c1)N=Cc1cc3cc(-n4ccc5cc(C)c(F)cc54)ccc3nc1O2.

What is the InChIKey of 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine?

The InChIKey is RIWKXFGXBMJVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN3O/c1-15-3-6-25-23(9-15)28-14-19-11-18-12-20(4-5-22(18)29-26(19)31-25)30-8-7-17-10-16(2)21(27)13-24(17)30/h3-14H,1-2H3.

What are the key properties of 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine?

2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine has a molecular weight of 407.45 g/mol, XLogP of 6.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine is sourced from PubChem (CID 154574354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154574354 — identifiers, structure, computed properties (public domain)

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