1-(2-methylquinolin-8-yl)oxybutan-2-one

C14H15NO2 — CID 62040414

IUPAC1-(2-methylquinolin-8-yl)oxybutan-2-one
SMILESCCC(=O)COc1cccc2ccc(C)nc12
InChIInChI=1S/C14H15NO2/c1-3-12(16)9-17-13-6-4-5-11-8-7-10(2)15-14(11)13/h4-8H,3,9H2,1-2H3
InChIKeyKODREWBJBHFYHB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.90
Rot. Bonds4

About 1-(2-methylquinolin-8-yl)oxybutan-2-one

1-(2-methylquinolin-8-yl)oxybutan-2-one (PubChem CID 62040414) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2-methylquinolin-8-yl)oxybutan-2-one.

Molecular Properties

Compound Name1-(2-methylquinolin-8-yl)oxybutan-2-one
PubChem CID62040414
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(2-methylquinolin-8-yl)oxybutan-2-one
SMILESCCC(=O)COc1cccc2ccc(C)nc12
InChIInChI=1S/C14H15NO2/c1-3-12(16)9-17-13-6-4-5-11-8-7-10(2)15-14(11)13/h4-8H,3,9H2,1-2H3
InChIKeyKODREWBJBHFYHB-UHFFFAOYSA-N
XLogP2.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylquinolin-8-yl)oxyethanethioamide
CID 43352184
N-[(2S)-butan-2-yl]-2-(2-methylquinolin-8-yl)oxyacetamide
CID 7701891
N-cyclopropyl-2-(2-methylquinolin-8-yl)oxyacetamide
CID 40512032
N-ethyl-2-[(2-methylquinolin-8-yl)oxymethyl]prop-2-en-1-amine
CID 103066920
2-(2-methylquinolin-8-yl)oxy-N-naphthalen-2-ylacetamide
CID 40512034
potassium trifluoro-[3-(2-methylquinolin-8-yl)oxyprop-1-en-2-yl]boranuide
CID 106746695
1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone
CID 2994272
2-(2-methylquinolin-8-yl)oxy-N-(4-methylsulfanylphenyl)acetamide
CID 24581925
(2R)-1-(2-methylquinolin-8-yl)oxypropan-2-ol
CID 70983446
(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid
CID 30048247
8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid
CID 2934693
8-[(6-ethyl-2-pyridinyl)methoxy]-2-methylquinoline
CID 163741532

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-8-yl)oxybutan-2-one?
The IUPAC name of 1-(2-methylquinolin-8-yl)oxybutan-2-one (CID 62040414) is 1-(2-methylquinolin-8-yl)oxybutan-2-one.
What is the SMILES notation for 1-(2-methylquinolin-8-yl)oxybutan-2-one?
The canonical SMILES for 1-(2-methylquinolin-8-yl)oxybutan-2-one is CCC(=O)COc1cccc2ccc(C)nc12.
What is the InChIKey of 1-(2-methylquinolin-8-yl)oxybutan-2-one?
The InChIKey is KODREWBJBHFYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-12(16)9-17-13-6-4-5-11-8-7-10(2)15-14(11)13/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-(2-methylquinolin-8-yl)oxybutan-2-one?
1-(2-methylquinolin-8-yl)oxybutan-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-8-yl)oxybutan-2-one is sourced from PubChem (CID 62040414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).