4,6,8-trimethyl-1-(4-phenoxybutyl)quinolin-2-one

C22H25NO2 — CID 39768400

IUPAC4,6,8-trimethyl-1-(4-phenoxybutyl)quinolin-2-one
SMILESCc1cc(C)c2c(c1)c(C)cc(=O)n2CCCCOc1ccccc1
InChIInChI=1S/C22H25NO2/c1-16-13-18(3)22-20(14-16)17(2)15-21(24)23(22)11-7-8-12-25-19-9-5-4-6-10-19/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3
InChIKeyUWXBTHFHCQYXEJ-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.79
Rot. Bonds6

About 4,6,8-trimethyl-1-(4-phenoxybutyl)quinolin-2-one

4,6,8-trimethyl-1-(4-phenoxybutyl)quinolin-2-one (PubChem CID 39768400) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4,6,8-trimethyl-1-(4-phenoxybutyl)quinolin-2-one.

Molecular Properties

Compound Name4,6,8-trimethyl-1-(4-phenoxybutyl)quinolin-2-one
PubChem CID39768400
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name4,6,8-trimethyl-1-(4-phenoxybutyl)quinolin-2-one
SMILESCc1cc(C)c2c(c1)c(C)cc(=O)n2CCCCOc1ccccc1
InChIInChI=1S/C22H25NO2/c1-16-13-18(3)22-20(14-16)17(2)15-21(24)23(22)11-7-8-12-25-19-9-5-4-6-10-19/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3
InChIKeyUWXBTHFHCQYXEJ-UHFFFAOYSA-N
XLogP4.79
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,8-dimethyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one
CID 39768203
4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one
CID 39768022
2-[3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propyl]isoindole-1,3-dione
CID 39768357
N-phenyl-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
CID 39764939
N-phenyl-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39768322
1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-2-one
CID 39768018
1-(2-aminobutyl)-4,6,8-trimethylquinolin-2-one
CID 82167955
8-methoxy-1-[2-(4-methoxyphenoxy)ethyl]-4-methylquinolin-2-one
CID 46302499
1-benzhydryl-4,6,8-trimethylquinolin-2-one
CID 39765002
N-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39768430
2-[4-(4,8-dimethyl-2-oxoquinolin-1-yl)butyl]isoindole-1,3-dione
CID 39768160
4-[(4,6,8-trimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile
CID 39768352

Frequently Asked Questions

What is the IUPAC name of 4,6,8-trimethyl-1-(4-phenoxybutyl)quinolin-2-one?
The IUPAC name of 4,6,8-trimethyl-1-(4-phenoxybutyl)quinolin-2-one (CID 39768400) is 4,6,8-trimethyl-1-(4-phenoxybutyl)quinolin-2-one.
What is the SMILES notation for 4,6,8-trimethyl-1-(4-phenoxybutyl)quinolin-2-one?
The canonical SMILES for 4,6,8-trimethyl-1-(4-phenoxybutyl)quinolin-2-one is Cc1cc(C)c2c(c1)c(C)cc(=O)n2CCCCOc1ccccc1.
What is the InChIKey of 4,6,8-trimethyl-1-(4-phenoxybutyl)quinolin-2-one?
The InChIKey is UWXBTHFHCQYXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-16-13-18(3)22-20(14-16)17(2)15-21(24)23(22)11-7-8-12-25-19-9-5-4-6-10-19/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3.
What are the key properties of 4,6,8-trimethyl-1-(4-phenoxybutyl)quinolin-2-one?
4,6,8-trimethyl-1-(4-phenoxybutyl)quinolin-2-one has a molecular weight of 335.45 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-trimethyl-1-(4-phenoxybutyl)quinolin-2-one is sourced from PubChem (CID 39768400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).