1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone

C20H19NO3 — CID 2994272

IUPAC1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCOc1cccc2ccc(C)nc12
InChIInChI=1S/C20H19NO3/c1-14-10-11-16-6-5-9-19(20(16)21-14)24-13-12-23-18-8-4-3-7-17(18)15(2)22/h3-11H,12-13H2,1-2H3
InChIKeyRYTPEJYBTJCVFF-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.20
Rot. Bonds6

About 1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone

1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone (PubChem CID 2994272) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone
PubChem CID2994272
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCOc1cccc2ccc(C)nc12
InChIInChI=1S/C20H19NO3/c1-14-10-11-16-6-5-9-19(20(16)21-14)24-13-12-23-18-8-4-3-7-17(18)15(2)22/h3-11H,12-13H2,1-2H3
InChIKeyRYTPEJYBTJCVFF-UHFFFAOYSA-N
XLogP4.20
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate
CID 2183287
8-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]-2-methylquinoline
CID 2184547
8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid
CID 2934693
1-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
CID 79267970
[(2-methylquinolin-8-yl)oxy-[(2-methylquinolin-8-yl)oxymethyl]gallanyl]methyl acetate
CID 140564050
8-[2-(4-chlorophenoxy)ethoxy]-2-methylquinoline
CID 2299353
2-methyl-8-[4-(2-nitrophenoxy)butoxy]quinoline
CID 2182124
N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 74243480
4-(2-methylquinolin-8-yl)oxybutan-2-amine
CID 43169778
2-methyl-8-pent-4-ynoxyquinoline
CID 75395956
potassium trifluoro-[3-(2-methylquinolin-8-yl)oxyprop-1-en-2-yl]boranuide
CID 106746695
8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline
CID 2182910

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone (CID 2994272) is 1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone is CC(=O)c1ccccc1OCCOc1cccc2ccc(C)nc12.
What is the InChIKey of 1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone?
The InChIKey is RYTPEJYBTJCVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-14-10-11-16-6-5-9-19(20(16)21-14)24-13-12-23-18-8-4-3-7-17(18)15(2)22/h3-11H,12-13H2,1-2H3.
What are the key properties of 1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone?
1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone has a molecular weight of 321.38 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone is sourced from PubChem (CID 2994272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).