2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline

C17H14BrNO2 — CID 104707445

IUPAC2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline
SMILESCOc1ccc(OCc2ccc3ccccc3n2)c(Br)c1
InChIInChI=1S/C17H14BrNO2/c1-20-14-8-9-17(15(18)10-14)21-11-13-7-6-12-4-2-3-5-16(12)19-13/h2-10H,11H2,1H3
InChIKeyYXLSSCYPQZJYJU-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.58
Rot. Bonds4

About 2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline

2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline (PubChem CID 104707445) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline.

Molecular Properties

Compound Name2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline
PubChem CID104707445
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline
SMILESCOc1ccc(OCc2ccc3ccccc3n2)c(Br)c1
InChIInChI=1S/C17H14BrNO2/c1-20-14-8-9-17(15(18)10-14)21-11-13-7-6-12-4-2-3-5-16(12)19-13/h2-10H,11H2,1H3
InChIKeyYXLSSCYPQZJYJU-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

[6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908648
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol
CID 70388723
3-[3-bromo-4-(quinolin-2-ylmethoxy)phenyl]-2-oxopropane-1-sulfonamide
CID 19087778
[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 61389098
[6-methyl-3-(quinolin-2-ylmethoxy)-2-pyridinyl]methanol
CID 79157803
4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 113443676
methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 19087804
2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
CID 82727045
4-methyl-2-(quinolin-2-ylmethoxy)aniline
CID 28773260
3-bromo-5-(quinolin-2-ylmethoxy)aniline
CID 103588166
4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 104704731

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline?
The IUPAC name of 2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline (CID 104707445) is 2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline.
What is the SMILES notation for 2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline?
The canonical SMILES for 2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline is COc1ccc(OCc2ccc3ccccc3n2)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline?
The InChIKey is YXLSSCYPQZJYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-20-14-8-9-17(15(18)10-14)21-11-13-7-6-12-4-2-3-5-16(12)19-13/h2-10H,11H2,1H3.
What are the key properties of 2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline?
2-[(2-bromo-4-methoxyphenoxy)methyl]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 2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline is sourced from PubChem (CID 104707445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).