1-(4-methoxyquinolin-2-yl)ethanone

C12H11NO2 — CID 22954601

IUPAC1-(4-methoxyquinolin-2-yl)ethanone
SMILESCOc1cc(C(C)=O)nc2ccccc12
InChIInChI=1S/C12H11NO2/c1-8(14)11-7-12(15-2)9-5-3-4-6-10(9)13-11/h3-7H,1-2H3
InChIKeyJDCQBVIPGNOUBZ-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.45
Rot. Bonds2

About 1-(4-methoxyquinolin-2-yl)ethanone

1-(4-methoxyquinolin-2-yl)ethanone (PubChem CID 22954601) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(4-methoxyquinolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxyquinolin-2-yl)ethanone
PubChem CID22954601
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-(4-methoxyquinolin-2-yl)ethanone
SMILESCOc1cc(C(C)=O)nc2ccccc12
InChIInChI=1S/C12H11NO2/c1-8(14)11-7-12(15-2)9-5-3-4-6-10(9)13-11/h3-7H,1-2H3
InChIKeyJDCQBVIPGNOUBZ-UHFFFAOYSA-N
XLogP2.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-prop-1-en-2-ylquinoline
CID 119087132
1-(4-chloroquinolin-2-yl)ethanone
CID 14792596
(4-methoxyquinolin-2-yl) hydrogen carbonate
CID 70267248
[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3693938
1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate
CID 10320372
4-methoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline-2-carboxamide
CID 71567335
[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 3274641
N-(furan-2-ylmethyl)-4-methoxyquinoline-2-carboxamide
CID 71824016
ethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate
CID 4596963
N-[1-(4-fluorophenyl)ethyl]-4-methoxyquinoline-2-carboxamide
CID 71824014
1-(4-methoxyquinolin-2-yl)-3-phenylurea
CID 134098367
N-(3-acetylphenyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide
CID 3798626

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyquinolin-2-yl)ethanone?
The IUPAC name of 1-(4-methoxyquinolin-2-yl)ethanone (CID 22954601) is 1-(4-methoxyquinolin-2-yl)ethanone.
What is the SMILES notation for 1-(4-methoxyquinolin-2-yl)ethanone?
The canonical SMILES for 1-(4-methoxyquinolin-2-yl)ethanone is COc1cc(C(C)=O)nc2ccccc12.
What is the InChIKey of 1-(4-methoxyquinolin-2-yl)ethanone?
The InChIKey is JDCQBVIPGNOUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8(14)11-7-12(15-2)9-5-3-4-6-10(9)13-11/h3-7H,1-2H3.
What are the key properties of 1-(4-methoxyquinolin-2-yl)ethanone?
1-(4-methoxyquinolin-2-yl)ethanone has a molecular weight of 201.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyquinolin-2-yl)ethanone is sourced from PubChem (CID 22954601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).