4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline

C19H19NO — CID 79232555

IUPAC4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline
SMILESCc1ccc(OCc2cc(C)nc3ccccc23)c(C)c1
InChIInChI=1S/C19H19NO/c1-13-8-9-19(14(2)10-13)21-12-16-11-15(3)20-18-7-5-4-6-17(16)18/h4-11H,12H2,1-3H3
InChIKeyFQRKSKHORXZXAF-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.74
Rot. Bonds3

About 4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline

4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline (PubChem CID 79232555) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline.

Molecular Properties

Compound Name4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline
PubChem CID79232555
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline
SMILESCc1ccc(OCc2cc(C)nc3ccccc23)c(C)c1
InChIInChI=1S/C19H19NO/c1-13-8-9-19(14(2)10-13)21-12-16-11-15(3)20-18-7-5-4-6-17(16)18/h4-11H,12H2,1-3H3
InChIKeyFQRKSKHORXZXAF-UHFFFAOYSA-N
XLogP4.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline
CID 107284170
4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline
CID 79231433
[2-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 79234339
2-[(2-methylquinolin-4-yl)methoxy]benzonitrile
CID 78961975
2-[(2,4-dimethylphenoxy)methyl]benzenethiol
CID 54329729
[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 22148915
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole
CID 46310807
3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline
CID 104831438
(2-methylquinolin-4-yl)methanethiol
CID 79885955
2-[(2,4-dimethylphenoxy)methyl]benzaldehyde
CID 19879846
3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde
CID 78994185

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline?
The IUPAC name of 4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline (CID 79232555) is 4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline.
What is the SMILES notation for 4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline?
The canonical SMILES for 4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline is Cc1ccc(OCc2cc(C)nc3ccccc23)c(C)c1.
What is the InChIKey of 4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline?
The InChIKey is FQRKSKHORXZXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-13-8-9-19(14(2)10-13)21-12-16-11-15(3)20-18-7-5-4-6-17(16)18/h4-11H,12H2,1-3H3.
What are the key properties of 4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline?
4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline has a molecular weight of 277.37 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline is sourced from PubChem (CID 79232555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).