1-methoxy-4-quinolin-2-ylbutan-2-one

C14H15NO2 — CID 79417247

IUPAC1-methoxy-4-quinolin-2-ylbutan-2-one
SMILESCOCC(=O)CCc1ccc2ccccc2n1
InChIInChI=1S/C14H15NO2/c1-17-10-13(16)9-8-12-7-6-11-4-2-3-5-14(11)15-12/h2-7H,8-10H2,1H3
InChIKeyQESHGGOCIKVMRX-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.38
Rot. Bonds5

About 1-methoxy-4-quinolin-2-ylbutan-2-one

1-methoxy-4-quinolin-2-ylbutan-2-one (PubChem CID 79417247) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-methoxy-4-quinolin-2-ylbutan-2-one.

Molecular Properties

Compound Name1-methoxy-4-quinolin-2-ylbutan-2-one
PubChem CID79417247
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-methoxy-4-quinolin-2-ylbutan-2-one
SMILESCOCC(=O)CCc1ccc2ccccc2n1
InChIInChI=1S/C14H15NO2/c1-17-10-13(16)9-8-12-7-6-11-4-2-3-5-14(11)15-12/h2-7H,8-10H2,1H3
InChIKeyQESHGGOCIKVMRX-UHFFFAOYSA-N
XLogP2.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-quinolin-2-ylbutan-2-one
CID 43139081
2-(2-methoxyethyl)quinoline
CID 129321824
N,N-dimethyl-3-quinolin-2-ylpropanamide
CID 110464890
1-quinolin-2-ylpentan-2-one
CID 28935199
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
[2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate
CID 55367871
1,3-benzothiazol-2-ylmethyl 3-quinolin-2-ylpropanoate
CID 29486192
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 29486260
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate
CID 29486304
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 55367848
4-(quinolin-2-ylmethylsulfanyl)butan-2-one
CID 20505325
2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide
CID 71938888

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-quinolin-2-ylbutan-2-one?
The IUPAC name of 1-methoxy-4-quinolin-2-ylbutan-2-one (CID 79417247) is 1-methoxy-4-quinolin-2-ylbutan-2-one.
What is the SMILES notation for 1-methoxy-4-quinolin-2-ylbutan-2-one?
The canonical SMILES for 1-methoxy-4-quinolin-2-ylbutan-2-one is COCC(=O)CCc1ccc2ccccc2n1.
What is the InChIKey of 1-methoxy-4-quinolin-2-ylbutan-2-one?
The InChIKey is QESHGGOCIKVMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-17-10-13(16)9-8-12-7-6-11-4-2-3-5-14(11)15-12/h2-7H,8-10H2,1H3.
What are the key properties of 1-methoxy-4-quinolin-2-ylbutan-2-one?
1-methoxy-4-quinolin-2-ylbutan-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-quinolin-2-ylbutan-2-one is sourced from PubChem (CID 79417247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).