2-[2-(5-fluoroquinolin-2-yl)ethenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol

C25H18FNO2 — CID 70031770

About 2-[2-(5-fluoroquinolin-2-yl)ethenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol

2-[2-(5-fluoroquinolin-2-yl)ethenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol (PubChem CID 70031770) has the molecular formula C25H18FNO2 and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-[2-(5-fluoroquinolin-2-yl)ethenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol.

Molecular Properties

• Compound Name: 2-[2-(5-fluoroquinolin-2-yl)ethenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol
• PubChem CID: 70031770
• Molecular Formula: C25H18FNO2
• Molecular Weight: 383.42 g/mol
• Exact Mass: 383.13
• IUPAC Name: 2-[2-(5-fluoroquinolin-2-yl)ethenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol
• SMILES: OC1c2ccccc2COc2ccc(C=Cc3ccc4c(F)cccc4n3)cc21
• InChI: InChI=1S/C25H18FNO2/c26-22-6-3-7-23-20(22)12-11-18(27-23)10-8-16-9-13-24-21(14-16)25(28)19-5-2-1-4-17(19)15-29-24/h1-14,25,28H,15H2
• InChIKey: OQWJOHRLKVZWBT-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 42.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.42
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-fluoroquinolin-2-yl)ethenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol?

The IUPAC name of 2-[2-(5-fluoroquinolin-2-yl)ethenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol (CID 70031770) is 2-[2-(5-fluoroquinolin-2-yl)ethenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol.

What is the SMILES notation for 2-[2-(5-fluoroquinolin-2-yl)ethenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol?

The canonical SMILES for 2-[2-(5-fluoroquinolin-2-yl)ethenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol is OC1c2ccccc2COc2ccc(C=Cc3ccc4c(F)cccc4n3)cc21.

What is the InChIKey of 2-[2-(5-fluoroquinolin-2-yl)ethenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol?

The InChIKey is OQWJOHRLKVZWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FNO2/c26-22-6-3-7-23-20(22)12-11-18(27-23)10-8-16-9-13-24-21(14-16)25(28)19-5-2-1-4-17(19)15-29-24/h1-14,25,28H,15H2.

What are the key properties of 2-[2-(5-fluoroquinolin-2-yl)ethenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol?

2-[2-(5-fluoroquinolin-2-yl)ethenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol has a molecular weight of 383.42 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(5-fluoroquinolin-2-yl)ethenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol is sourced from PubChem (CID 70031770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).