1-(6-methoxy-4-methylquinolin-2-yl)ethanone

C13H13NO2 — CID 82576202

IUPAC1-(6-methoxy-4-methylquinolin-2-yl)ethanone
SMILESCOc1ccc2nc(C(C)=O)cc(C)c2c1
InChIInChI=1S/C13H13NO2/c1-8-6-13(9(2)15)14-12-5-4-10(16-3)7-11(8)12/h4-7H,1-3H3
InChIKeyKAAIQNVGXSUOQE-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.75
Rot. Bonds2

About 1-(6-methoxy-4-methylquinolin-2-yl)ethanone

1-(6-methoxy-4-methylquinolin-2-yl)ethanone (PubChem CID 82576202) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(6-methoxy-4-methylquinolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-methoxy-4-methylquinolin-2-yl)ethanone
PubChem CID82576202
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-(6-methoxy-4-methylquinolin-2-yl)ethanone
SMILESCOc1ccc2nc(C(C)=O)cc(C)c2c1
InChIInChI=1S/C13H13NO2/c1-8-6-13(9(2)15)14-12-5-4-10(16-3)7-11(8)12/h4-7H,1-3H3
InChIKeyKAAIQNVGXSUOQE-UHFFFAOYSA-N
XLogP2.75
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;6-methoxy-2,4-dimethylquinoline
CID 143681558
(6-methoxy-4-methylquinolin-2-yl)methanol
CID 82576399
6-ethoxy-4-methylquinoline-2-carboxylic acid
CID 82574771
1-(6-methoxy-4,9-dimethylpyrido[2,3-b]indol-2-yl)ethanone
CID 135060319
1-(7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone
CID 82451979
ethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate
CID 132534382
1-(4-methoxyquinolin-2-yl)ethanone
CID 22954601
6-methoxy-2,4-dimethylquinolin-3-ol
CID 123803220
2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid
CID 3263095
6-methoxy-N-methyl-4-propan-2-ylquinoline-2-carboxamide
CID 167327578
2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574913
(2-chloro-6-methoxyquinolin-4-yl) acetate
CID 174389484

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-4-methylquinolin-2-yl)ethanone?
The IUPAC name of 1-(6-methoxy-4-methylquinolin-2-yl)ethanone (CID 82576202) is 1-(6-methoxy-4-methylquinolin-2-yl)ethanone.
What is the SMILES notation for 1-(6-methoxy-4-methylquinolin-2-yl)ethanone?
The canonical SMILES for 1-(6-methoxy-4-methylquinolin-2-yl)ethanone is COc1ccc2nc(C(C)=O)cc(C)c2c1.
What is the InChIKey of 1-(6-methoxy-4-methylquinolin-2-yl)ethanone?
The InChIKey is KAAIQNVGXSUOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-8-6-13(9(2)15)14-12-5-4-10(16-3)7-11(8)12/h4-7H,1-3H3.
What are the key properties of 1-(6-methoxy-4-methylquinolin-2-yl)ethanone?
1-(6-methoxy-4-methylquinolin-2-yl)ethanone has a molecular weight of 215.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-4-methylquinolin-2-yl)ethanone is sourced from PubChem (CID 82576202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).