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

C24H18FNO3 — CID 23359150

IUPAC2-[(6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol
SMILESOC1c2ccccc2COc2ccc(OCc3ccc4cc(F)ccc4n3)cc21
InChIInChI=1S/C24H18FNO3/c25-17-6-9-22-15(11-17)5-7-18(26-22)14-28-19-8-10-23-21(12-19)24(27)20-4-2-1-3-16(20)13-29-23/h1-12,24,27H,13-14H2
InChIKeyBRRAGRVXSYPPCV-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.93
Rot. Bonds3

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

2-[(6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol (PubChem CID 23359150) has the molecular formula C24H18FNO3 and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-[(6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol.

Molecular Properties

Compound Name2-[(6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol
PubChem CID23359150
Molecular FormulaC24H18FNO3
Molecular Weight387.41 g/mol
Exact Mass387.13
IUPAC Name2-[(6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol
SMILESOC1c2ccccc2COc2ccc(OCc3ccc4cc(F)ccc4n3)cc21
InChIInChI=1S/C24H18FNO3/c25-17-6-9-22-15(11-17)5-7-18(26-22)14-28-19-8-10-23-21(12-19)24(27)20-4-2-1-3-16(20)13-29-23/h1-12,24,27H,13-14H2
InChIKeyBRRAGRVXSYPPCV-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

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

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Related Compounds

alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol
CID 5059
1-[4-(Quinolin-2-ylmethoxy)phenyl]hexan-1-ol
CID 9797817
2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinolin-8-ol
CID 5731541
Ipflufenoquin
CID 68289416
(2-{3-[(2-Methyl-8-quinolinyl)oxy]propoxy}phenyl)methanol
CID 2993392
WY 47288
CID 176149
2-[3-(Quinolin-2-ylmethoxy)phenyl]heptan-2-ol
CID 14349135
4-Phenyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742709
2-(2-Phenylbicyclo[2.2.1]heptan-2-yl)-4-(quinolin-2-ylmethoxy)phenol
CID 44447701
2-((4-Methoxy-3-(2-phenylbicyclo[2.2.1]heptan-2-yl)phenoxy)methyl)quinoline
CID 44447708
Benzenemethanol, 3-(2-quinolinylmethoxy)-
CID 14650410
2-(8-Methoxyquinolin-2-yl)-1,1-diphenylethanol
CID 327890

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol?
The IUPAC name of 2-[(6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol (CID 23359150) is 2-[(6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol.
What is the SMILES notation for 2-[(6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol?
The canonical SMILES for 2-[(6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol is OC1c2ccccc2COc2ccc(OCc3ccc4cc(F)ccc4n3)cc21.
What is the InChIKey of 2-[(6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol?
The InChIKey is BRRAGRVXSYPPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO3/c25-17-6-9-22-15(11-17)5-7-18(26-22)14-28-19-8-10-23-21(12-19)24(27)20-4-2-1-3-16(20)13-29-23/h1-12,24,27H,13-14H2.
What are the key properties of 2-[(6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol?
2-[(6-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-[(6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol is sourced from PubChem (CID 23359150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).