5-[(2-bromo-3-fluorophenyl)methoxy]quinoline

C16H11BrFNO — CID 103045464

IUPAC5-[(2-bromo-3-fluorophenyl)methoxy]quinoline
SMILESFc1cccc(COc2cccc3ncccc23)c1Br
InChIInChI=1S/C16H11BrFNO/c17-16-11(4-1-6-13(16)18)10-20-15-8-2-7-14-12(15)5-3-9-19-14/h1-9H,10H2
InChIKeyQLNSCMSWFBIJJO-UHFFFAOYSA-N
MW332.17 g/mol
LogP4.72
Rot. Bonds3

About 5-[(2-bromo-3-fluorophenyl)methoxy]quinoline

5-[(2-bromo-3-fluorophenyl)methoxy]quinoline (PubChem CID 103045464) has the molecular formula C16H11BrFNO and a molecular weight of 332.17 g/mol. Its IUPAC name is 5-[(2-bromo-3-fluorophenyl)methoxy]quinoline.

Molecular Properties

Compound Name5-[(2-bromo-3-fluorophenyl)methoxy]quinoline
PubChem CID103045464
Molecular FormulaC16H11BrFNO
Molecular Weight332.17 g/mol
Exact Mass331.00
IUPAC Name5-[(2-bromo-3-fluorophenyl)methoxy]quinoline
SMILESFc1cccc(COc2cccc3ncccc23)c1Br
InChIInChI=1S/C16H11BrFNO/c17-16-11(4-1-6-13(16)18)10-20-15-8-2-7-14-12(15)5-3-9-19-14/h1-9H,10H2
InChIKeyQLNSCMSWFBIJJO-UHFFFAOYSA-N
XLogP4.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-(quinolin-5-yloxymethyl)aniline
CID 103044079
[5-fluoro-2-(quinolin-5-yloxymethyl)phenyl]methanamine
CID 103044344
5-chloro-2-(quinolin-5-yloxymethyl)aniline
CID 103044256
5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline
CID 103044604
5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]quinoline
CID 103045463
2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene
CID 112613624
5-(9-bromononoxy)quinoline
CID 103044601
4-bromo-N-(2-quinolin-5-yloxyethyl)aniline
CID 103045838
2-quinolin-5-yloxyacetaldehyde
CID 103045247
2-[(2-bromo-3-fluorophenyl)methoxy]-4-fluorobenzoic acid
CID 107014584
[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]methanol
CID 107690498
5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]quinoline
CID 74238263

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-3-fluorophenyl)methoxy]quinoline?
The IUPAC name of 5-[(2-bromo-3-fluorophenyl)methoxy]quinoline (CID 103045464) is 5-[(2-bromo-3-fluorophenyl)methoxy]quinoline.
What is the SMILES notation for 5-[(2-bromo-3-fluorophenyl)methoxy]quinoline?
The canonical SMILES for 5-[(2-bromo-3-fluorophenyl)methoxy]quinoline is Fc1cccc(COc2cccc3ncccc23)c1Br.
What is the InChIKey of 5-[(2-bromo-3-fluorophenyl)methoxy]quinoline?
The InChIKey is QLNSCMSWFBIJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO/c17-16-11(4-1-6-13(16)18)10-20-15-8-2-7-14-12(15)5-3-9-19-14/h1-9H,10H2.
What are the key properties of 5-[(2-bromo-3-fluorophenyl)methoxy]quinoline?
5-[(2-bromo-3-fluorophenyl)methoxy]quinoline has a molecular weight of 332.17 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-3-fluorophenyl)methoxy]quinoline is sourced from PubChem (CID 103045464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).