6-bromo-8-methoxy-4-phenylmethoxyquinoline

C17H14BrNO2 — CID 178032922

IUPAC6-bromo-8-methoxy-4-phenylmethoxyquinoline
SMILESCOc1cc(Br)cc2c(OCc3ccccc3)ccnc12
InChIInChI=1S/C17H14BrNO2/c1-20-16-10-13(18)9-14-15(7-8-19-17(14)16)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyLTAGFIAMBGOJFN-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.58
Rot. Bonds4

About 6-bromo-8-methoxy-4-phenylmethoxyquinoline

6-bromo-8-methoxy-4-phenylmethoxyquinoline (PubChem CID 178032922) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 6-bromo-8-methoxy-4-phenylmethoxyquinoline.

Molecular Properties

Compound Name6-bromo-8-methoxy-4-phenylmethoxyquinoline
PubChem CID178032922
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name6-bromo-8-methoxy-4-phenylmethoxyquinoline
SMILESCOc1cc(Br)cc2c(OCc3ccccc3)ccnc12
InChIInChI=1S/C17H14BrNO2/c1-20-16-10-13(18)9-14-15(7-8-19-17(14)16)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyLTAGFIAMBGOJFN-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

5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
4,7-bis(phenylmethoxy)-1,10-phenanthroline
CID 23134911
5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
CID 67273337
5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene
CID 146277743
4-phenylmethoxyquinoline
CID 11299312
5-bromo-3-phenylmethoxybenzene-1,2-diol
CID 86049780
[3,4-bis(phenylmethoxy)-2-pyridinyl]methanol
CID 11324699
2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
CID 11186357
4-bromo-2-methyl-6-phenylmethoxyaniline
CID 58826330
2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane
CID 164893025
7-methoxy-8-phenylmethoxyquinoline
CID 67057987
N-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 17157325

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methoxy-4-phenylmethoxyquinoline?
The IUPAC name of 6-bromo-8-methoxy-4-phenylmethoxyquinoline (CID 178032922) is 6-bromo-8-methoxy-4-phenylmethoxyquinoline.
What is the SMILES notation for 6-bromo-8-methoxy-4-phenylmethoxyquinoline?
The canonical SMILES for 6-bromo-8-methoxy-4-phenylmethoxyquinoline is COc1cc(Br)cc2c(OCc3ccccc3)ccnc12.
What is the InChIKey of 6-bromo-8-methoxy-4-phenylmethoxyquinoline?
The InChIKey is LTAGFIAMBGOJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-20-16-10-13(18)9-14-15(7-8-19-17(14)16)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 6-bromo-8-methoxy-4-phenylmethoxyquinoline?
6-bromo-8-methoxy-4-phenylmethoxyquinoline 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 6-bromo-8-methoxy-4-phenylmethoxyquinoline is sourced from PubChem (CID 178032922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).