7-[(2-bromo-5-methoxyphenyl)methoxy]-2,4-dimethylquinoline

C19H18BrNO2 — CID 134830670

IUPAC7-[(2-bromo-5-methoxyphenyl)methoxy]-2,4-dimethylquinoline
SMILESCOc1ccc(Br)c(COc2ccc3c(C)cc(C)nc3c2)c1
InChIInChI=1S/C19H18BrNO2/c1-12-8-13(2)21-19-10-16(4-6-17(12)19)23-11-14-9-15(22-3)5-7-18(14)20/h4-10H,11H2,1-3H3
InChIKeyJALSWJJXWGPETL-UHFFFAOYSA-N
MW372.26 g/mol
LogP5.20
Rot. Bonds4

About 7-[(2-bromo-5-methoxyphenyl)methoxy]-2,4-dimethylquinoline

7-[(2-bromo-5-methoxyphenyl)methoxy]-2,4-dimethylquinoline (PubChem CID 134830670) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 7-[(2-bromo-5-methoxyphenyl)methoxy]-2,4-dimethylquinoline.

Molecular Properties

Compound Name7-[(2-bromo-5-methoxyphenyl)methoxy]-2,4-dimethylquinoline
PubChem CID134830670
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name7-[(2-bromo-5-methoxyphenyl)methoxy]-2,4-dimethylquinoline
SMILESCOc1ccc(Br)c(COc2ccc3c(C)cc(C)nc3c2)c1
InChIInChI=1S/C19H18BrNO2/c1-12-8-13(2)21-19-10-16(4-6-17(12)19)23-11-14-9-15(22-3)5-7-18(14)20/h4-10H,11H2,1-3H3
InChIKeyJALSWJJXWGPETL-UHFFFAOYSA-N
XLogP5.20
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.26
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-7-methoxy-2-methylquinoline
CID 11550580
1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene
CID 65326131
[4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 65322781
2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
CID 83133204
7-methoxy-4-methylquinolin-2-amine
CID 53485904
ethane;6-methoxy-2,4-dimethylquinoline
CID 143681558
4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluoroaniline
CID 65322368
1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene
CID 102983162
4-[(2-bromo-5-methoxyphenyl)methoxy]benzenesulfonyl chloride
CID 65324002
5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid
CID 79794336
7-methoxy-4-methylquinoline-2-carbonitrile
CID 82573251
3-[(2-bromo-5-methoxyphenyl)methoxy]benzenecarbothioamide
CID 65323381

Frequently Asked Questions

What is the IUPAC name of 7-[(2-bromo-5-methoxyphenyl)methoxy]-2,4-dimethylquinoline?
The IUPAC name of 7-[(2-bromo-5-methoxyphenyl)methoxy]-2,4-dimethylquinoline (CID 134830670) is 7-[(2-bromo-5-methoxyphenyl)methoxy]-2,4-dimethylquinoline.
What is the SMILES notation for 7-[(2-bromo-5-methoxyphenyl)methoxy]-2,4-dimethylquinoline?
The canonical SMILES for 7-[(2-bromo-5-methoxyphenyl)methoxy]-2,4-dimethylquinoline is COc1ccc(Br)c(COc2ccc3c(C)cc(C)nc3c2)c1.
What is the InChIKey of 7-[(2-bromo-5-methoxyphenyl)methoxy]-2,4-dimethylquinoline?
The InChIKey is JALSWJJXWGPETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2/c1-12-8-13(2)21-19-10-16(4-6-17(12)19)23-11-14-9-15(22-3)5-7-18(14)20/h4-10H,11H2,1-3H3.
What are the key properties of 7-[(2-bromo-5-methoxyphenyl)methoxy]-2,4-dimethylquinoline?
7-[(2-bromo-5-methoxyphenyl)methoxy]-2,4-dimethylquinoline has a molecular weight of 372.26 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-bromo-5-methoxyphenyl)methoxy]-2,4-dimethylquinoline is sourced from PubChem (CID 134830670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).