4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline

C18H16BrNO — CID 107284170

IUPAC4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline
SMILESCc1cc(COc2cc(Br)ccc2C)c2ccccc2n1
InChIInChI=1S/C18H16BrNO/c1-12-7-8-15(19)10-18(12)21-11-14-9-13(2)20-17-6-4-3-5-16(14)17/h3-10H,11H2,1-2H3
InChIKeyLBLVRLKWBUOWDJ-UHFFFAOYSA-N
MW342.24 g/mol
LogP5.19
Rot. Bonds3

About 4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline

4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline (PubChem CID 107284170) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is 4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline.

Molecular Properties

Compound Name4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline
PubChem CID107284170
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline
SMILESCc1cc(COc2cc(Br)ccc2C)c2ccccc2n1
InChIInChI=1S/C18H16BrNO/c1-12-7-8-15(19)10-18(12)21-11-14-9-13(2)20-17-6-4-3-5-16(14)17/h3-10H,11H2,1-2H3
InChIKeyLBLVRLKWBUOWDJ-UHFFFAOYSA-N
XLogP5.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.24
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline
CID 79232555
2-[(2-methylquinolin-4-yl)methoxy]benzonitrile
CID 78961975
4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline
CID 79231433
[2-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 79234339
8-[(5-bromo-2-methylphenoxy)methyl]quinoline
CID 107283970
[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 22148915
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
[3-[(5-bromo-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 107285501
3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline
CID 104831438
(2-methylquinolin-4-yl)methanethiol
CID 79885955
4-[(2-methylquinolin-4-yl)methoxy]benzenesulfinic acid
CID 22032785
3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde
CID 78994185

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline?
The IUPAC name of 4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline (CID 107284170) is 4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline.
What is the SMILES notation for 4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline?
The canonical SMILES for 4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline is Cc1cc(COc2cc(Br)ccc2C)c2ccccc2n1.
What is the InChIKey of 4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline?
The InChIKey is LBLVRLKWBUOWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO/c1-12-7-8-15(19)10-18(12)21-11-14-9-13(2)20-17-6-4-3-5-16(14)17/h3-10H,11H2,1-2H3.
What are the key properties of 4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline?
4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline has a molecular weight of 342.24 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline is sourced from PubChem (CID 107284170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).