2-[(8-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol

C24H18FNO3 — CID 23359185

IUPAC2-[(8-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol
SMILESOC1c2ccccc2COc2ccc(OCc3ccc4cccc(F)c4n3)cc21
InChIInChI=1S/C24H18FNO3/c25-21-7-3-5-15-8-9-17(26-23(15)21)14-28-18-10-11-22-20(12-18)24(27)19-6-2-1-4-16(19)13-29-22/h1-12,24,27H,13-14H2
InChIKeyABTXDGKHUCQRQT-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.93
Rot. Bonds3

About 2-[(8-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol

2-[(8-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol (PubChem CID 23359185) has the molecular formula C24H18FNO3 and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-[(8-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol.

Molecular Properties

Compound Name2-[(8-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol
PubChem CID23359185
Molecular FormulaC24H18FNO3
Molecular Weight387.41 g/mol
Exact Mass387.13
IUPAC Name2-[(8-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol
SMILESOC1c2ccccc2COc2ccc(OCc3ccc4cccc(F)c4n3)cc21
InChIInChI=1S/C24H18FNO3/c25-21-7-3-5-15-8-9-17(26-23(15)21)14-28-18-10-11-22-20(12-18)24(27)19-6-2-1-4-16(19)13-29-22/h1-12,24,27H,13-14H2
InChIKeyABTXDGKHUCQRQT-UHFFFAOYSA-N
XLogP4.93
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol?
The IUPAC name of 2-[(8-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol (CID 23359185) is 2-[(8-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol.
What is the SMILES notation for 2-[(8-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol?
The canonical SMILES for 2-[(8-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol is OC1c2ccccc2COc2ccc(OCc3ccc4cccc(F)c4n3)cc21.
What is the InChIKey of 2-[(8-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol?
The InChIKey is ABTXDGKHUCQRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO3/c25-21-7-3-5-15-8-9-17(26-23(15)21)14-28-18-10-11-22-20(12-18)24(27)19-6-2-1-4-16(19)13-29-22/h1-12,24,27H,13-14H2.
What are the key properties of 2-[(8-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol?
2-[(8-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol has a molecular weight of 387.41 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol is sourced from PubChem (CID 23359185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).