8-[(4-bromophenoxy)methyl]quinoline

C16H12BrNO — CID 28775084

IUPAC8-[(4-bromophenoxy)methyl]quinoline
SMILESBrc1ccc(OCc2cccc3cccnc23)cc1
InChIInChI=1S/C16H12BrNO/c17-14-6-8-15(9-7-14)19-11-13-4-1-3-12-5-2-10-18-16(12)13/h1-10H,11H2
InChIKeyIZDLYQCKUHVJRK-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.58
Rot. Bonds3

About 8-[(4-bromophenoxy)methyl]quinoline

8-[(4-bromophenoxy)methyl]quinoline (PubChem CID 28775084) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 8-[(4-bromophenoxy)methyl]quinoline.

Molecular Properties

Compound Name8-[(4-bromophenoxy)methyl]quinoline
PubChem CID28775084
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name8-[(4-bromophenoxy)methyl]quinoline
SMILESBrc1ccc(OCc2cccc3cccnc23)cc1
InChIInChI=1S/C16H12BrNO/c17-14-6-8-15(9-7-14)19-11-13-4-1-3-12-5-2-10-18-16(12)13/h1-10H,11H2
InChIKeyIZDLYQCKUHVJRK-UHFFFAOYSA-N
XLogP4.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-(quinolin-8-ylmethoxy)aniline
CID 103588108
8-[(5-bromo-2-methylphenoxy)methyl]quinoline
CID 107283970
8-[2-(4-bromophenoxy)ethoxy]quinoline
CID 2289161
[3-[(4-bromophenoxy)methyl]-2-pyridinyl]methanamine
CID 62895549
3-(quinolin-8-ylmethoxy)benzaldehyde
CID 28775093
2-(hydroxymethyl)-6-[4-(quinolin-8-ylmethoxy)phenyl]oxane-3,4,5-triol
CID 123849509
8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460
3-(quinolin-8-ylmethoxy)benzenecarbothioamide
CID 28775042
2-(quinolin-8-ylmethoxy)ethanamine
CID 62343014
3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine
CID 55075630
6-(quinolin-8-ylmethoxy)pyrimidine-2,4,5-triamine
CID 145039451
[3-chloro-2-(quinolin-8-ylmethoxy)phenyl]methanol
CID 115956285

Frequently Asked Questions

What is the IUPAC name of 8-[(4-bromophenoxy)methyl]quinoline?
The IUPAC name of 8-[(4-bromophenoxy)methyl]quinoline (CID 28775084) is 8-[(4-bromophenoxy)methyl]quinoline.
What is the SMILES notation for 8-[(4-bromophenoxy)methyl]quinoline?
The canonical SMILES for 8-[(4-bromophenoxy)methyl]quinoline is Brc1ccc(OCc2cccc3cccnc23)cc1.
What is the InChIKey of 8-[(4-bromophenoxy)methyl]quinoline?
The InChIKey is IZDLYQCKUHVJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c17-14-6-8-15(9-7-14)19-11-13-4-1-3-12-5-2-10-18-16(12)13/h1-10H,11H2.
What are the key properties of 8-[(4-bromophenoxy)methyl]quinoline?
8-[(4-bromophenoxy)methyl]quinoline has a molecular weight of 314.18 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-bromophenoxy)methyl]quinoline is sourced from PubChem (CID 28775084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).