6-bromo-2-(4-phenylmethoxyphenoxy)quinoline

C22H16BrNO2 — CID 141463365

IUPAC6-bromo-2-(4-phenylmethoxyphenoxy)quinoline
SMILESBrc1ccc2nc(Oc3ccc(OCc4ccccc4)cc3)ccc2c1
InChIInChI=1S/C22H16BrNO2/c23-18-7-12-21-17(14-18)6-13-22(24-21)26-20-10-8-19(9-11-20)25-15-16-4-2-1-3-5-16/h1-14H,15H2
InChIKeyYWFPIIMYJHZUQR-UHFFFAOYSA-N
MW406.28 g/mol
LogP6.37
Rot. Bonds5

About 6-bromo-2-(4-phenylmethoxyphenoxy)quinoline

6-bromo-2-(4-phenylmethoxyphenoxy)quinoline (PubChem CID 141463365) has the molecular formula C22H16BrNO2 and a molecular weight of 406.28 g/mol. Its IUPAC name is 6-bromo-2-(4-phenylmethoxyphenoxy)quinoline.

Molecular Properties

Compound Name6-bromo-2-(4-phenylmethoxyphenoxy)quinoline
PubChem CID141463365
Molecular FormulaC22H16BrNO2
Molecular Weight406.28 g/mol
Exact Mass405.04
IUPAC Name6-bromo-2-(4-phenylmethoxyphenoxy)quinoline
SMILESBrc1ccc2nc(Oc3ccc(OCc4ccccc4)cc3)ccc2c1
InChIInChI=1S/C22H16BrNO2/c23-18-7-12-21-17(14-18)6-13-22(24-21)26-20-10-8-19(9-11-20)25-15-16-4-2-1-3-5-16/h1-14H,15H2
InChIKeyYWFPIIMYJHZUQR-UHFFFAOYSA-N
XLogP6.37
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.28
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-phenylmethoxynaphthalene
CID 640595
1-bromo-3-(4-phenylmethoxyphenoxy)benzene
CID 44818238
2-methyl-6-phenylmethoxyquinoline
CID 82580854
2-tert-butyl-6-phenylmethoxyquinoline
CID 20709519
2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
CID 7786828
2-[(6-bromonaphthalen-2-yl)oxymethyl]pyrimidine
CID 62698805
CID 143877823
CID 143877823
6-bromo-2-(2-phenylethyl)quinoline
CID 59459867
5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile
CID 177176529
5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran
CID 19918528
6-bromo-2-(2,2-dimethylpropoxy)quinoline
CID 177434912
2-(6-bromoquinolin-2-yl)oxyacetaldehyde
CID 54381903

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-phenylmethoxyphenoxy)quinoline?
The IUPAC name of 6-bromo-2-(4-phenylmethoxyphenoxy)quinoline (CID 141463365) is 6-bromo-2-(4-phenylmethoxyphenoxy)quinoline.
What is the SMILES notation for 6-bromo-2-(4-phenylmethoxyphenoxy)quinoline?
The canonical SMILES for 6-bromo-2-(4-phenylmethoxyphenoxy)quinoline is Brc1ccc2nc(Oc3ccc(OCc4ccccc4)cc3)ccc2c1.
What is the InChIKey of 6-bromo-2-(4-phenylmethoxyphenoxy)quinoline?
The InChIKey is YWFPIIMYJHZUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrNO2/c23-18-7-12-21-17(14-18)6-13-22(24-21)26-20-10-8-19(9-11-20)25-15-16-4-2-1-3-5-16/h1-14H,15H2.
What are the key properties of 6-bromo-2-(4-phenylmethoxyphenoxy)quinoline?
6-bromo-2-(4-phenylmethoxyphenoxy)quinoline has a molecular weight of 406.28 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-phenylmethoxyphenoxy)quinoline is sourced from PubChem (CID 141463365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).