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

C24H17ClFNO3 — CID 23359195

IUPAC2-[(5-chloro-6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol
SMILESOC1c2ccccc2COc2ccc(OCc3ccc4c(Cl)c(F)ccc4n3)cc21
InChIInChI=1S/C24H17ClFNO3/c25-23-18-7-5-15(27-21(18)9-8-20(23)26)13-29-16-6-10-22-19(11-16)24(28)17-4-2-1-3-14(17)12-30-22/h1-11,24,28H,12-13H2
InChIKeyPAGDJEPTFYPRFL-UHFFFAOYSA-N
MW421.86 g/mol
LogP5.58
Rot. Bonds3

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

2-[(5-chloro-6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol (PubChem CID 23359195) has the molecular formula C24H17ClFNO3 and a molecular weight of 421.86 g/mol. Its IUPAC name is 2-[(5-chloro-6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol.

Molecular Properties

Compound Name2-[(5-chloro-6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol
PubChem CID23359195
Molecular FormulaC24H17ClFNO3
Molecular Weight421.86 g/mol
Exact Mass421.09
IUPAC Name2-[(5-chloro-6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol
SMILESOC1c2ccccc2COc2ccc(OCc3ccc4c(Cl)c(F)ccc4n3)cc21
InChIInChI=1S/C24H17ClFNO3/c25-23-18-7-5-15(27-21(18)9-8-20(23)26)13-29-16-6-10-22-19(11-16)24(28)17-4-2-1-3-14(17)12-30-22/h1-11,24,28H,12-13H2
InChIKeyPAGDJEPTFYPRFL-UHFFFAOYSA-N
XLogP5.58
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.86
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chloro-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
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CID 44447724
Phenyl-[3-(quinolin-2-ylmethoxy)phenyl]methanol
CID 141602565
2-[2-(2-Chlorobenzyloxy)styryl]-8-quinolinol
CID 6273500
Lopac-R-5523
CID 6603985
2-Butyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydro-naphthalen-1-ol
CID 10808580
2-Benzyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydro-naphthalen-1-ol
CID 44277861
2-[(E)-2-[3-[(2-chlorophenyl)methoxy]phenyl]ethenyl]quinolin-8-ol
CID 155519137
FR 110302
CID 164102
Rev-5901A
CID 180604
3-((2-((7-Chloro-6-fluoro-2-quinolinyl)methoxy)-6,11-dihydrodibenz(b,E)oxepin-11-yl)thio)propanoic acid, (+)-
CID 9849210
2,2-dibutyl-8-fluoro-5-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol
CID 10836644

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol?
The IUPAC name of 2-[(5-chloro-6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol (CID 23359195) is 2-[(5-chloro-6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol.
What is the SMILES notation for 2-[(5-chloro-6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol?
The canonical SMILES for 2-[(5-chloro-6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol is OC1c2ccccc2COc2ccc(OCc3ccc4c(Cl)c(F)ccc4n3)cc21.
What is the InChIKey of 2-[(5-chloro-6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol?
The InChIKey is PAGDJEPTFYPRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFNO3/c25-23-18-7-5-15(27-21(18)9-8-20(23)26)13-29-16-6-10-22-19(11-16)24(28)17-4-2-1-3-14(17)12-30-22/h1-11,24,28H,12-13H2.
What are the key properties of 2-[(5-chloro-6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol?
2-[(5-chloro-6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol has a molecular weight of 421.86 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol is sourced from PubChem (CID 23359195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).