7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline

C17H14BrNO2 — CID 107314495

IUPAC7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline
SMILESCOc1ccc(COc2ccc3cccnc3c2)cc1Br
InChIInChI=1S/C17H14BrNO2/c1-20-17-7-4-12(9-15(17)18)11-21-14-6-5-13-3-2-8-19-16(13)10-14/h2-10H,11H2,1H3
InChIKeyBRSAOSVGITVWIK-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.58
Rot. Bonds4

About 7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline

7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline (PubChem CID 107314495) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline.

Molecular Properties

Compound Name7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline
PubChem CID107314495
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline
SMILESCOc1ccc(COc2ccc3cccnc3c2)cc1Br
InChIInChI=1S/C17H14BrNO2/c1-20-17-7-4-12(9-15(17)18)11-21-14-6-5-13-3-2-8-19-16(13)10-14/h2-10H,11H2,1H3
InChIKeyBRSAOSVGITVWIK-UHFFFAOYSA-N
XLogP4.58
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
CID 60673478
(3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol
CID 81196495
7-bromo-6-methoxyquinoline
CID 14566897
2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene
CID 107170178
2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60673925
2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene
CID 82716215
N-[(3-bromo-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 162374398
7-phenylmethoxyquinoline;quinolin-7-ol
CID 160975104
7-[(3-fluorophenoxy)methyl]quinoline
CID 174578180
(1R)-1-[4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 78933056
3-[(3-bromo-4-methoxyphenyl)methoxy]benzoic acid
CID 45286749
7-[4-(bromomethyl)-2-chlorophenoxy]quinoline
CID 107314175

Frequently Asked Questions

What is the IUPAC name of 7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline?
The IUPAC name of 7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline (CID 107314495) is 7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline.
What is the SMILES notation for 7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline?
The canonical SMILES for 7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline is COc1ccc(COc2ccc3cccnc3c2)cc1Br.
What is the InChIKey of 7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline?
The InChIKey is BRSAOSVGITVWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-20-17-7-4-12(9-15(17)18)11-21-14-6-5-13-3-2-8-19-16(13)10-14/h2-10H,11H2,1H3.
What are the key properties of 7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline?
7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline has a molecular weight of 344.21 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline is sourced from PubChem (CID 107314495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).