1-[3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentyl]ethanone

C19H23NO5 — CID 22082813

IUPAC1-[3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentyl]ethanone
SMILESCOOCc1cc(OC2CCC(C(C)=O)C2)c2ccc(OC)cc2n1
InChIInChI=1S/C19H23NO5/c1-12(21)13-4-5-16(8-13)25-19-9-14(11-24-23-3)20-18-10-15(22-2)6-7-17(18)19/h6-7,9-10,13,16H,4-5,8,11H2,1-3H3
InChIKeyYZYXKGNESWSUDD-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.46
Rot. Bonds7

About 1-[3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentyl]ethanone

1-[3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentyl]ethanone (PubChem CID 22082813) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentyl]ethanone.

Molecular Properties

Compound Name1-[3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentyl]ethanone
PubChem CID22082813
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name1-[3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentyl]ethanone
SMILESCOOCc1cc(OC2CCC(C(C)=O)C2)c2ccc(OC)cc2n1
InChIInChI=1S/C19H23NO5/c1-12(21)13-4-5-16(8-13)25-19-9-14(11-24-23-3)20-18-10-15(22-2)6-7-17(18)19/h6-7,9-10,13,16H,4-5,8,11H2,1-3H3
InChIKeyYZYXKGNESWSUDD-UHFFFAOYSA-N
XLogP3.46
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

ethane;(1S)-3-[7-methoxy-2-(methylperoxymethyl)quinolin-5-yl]oxycyclopentane-1-carboxylic acid;1-[(1S)-3-[7-methoxy-2-(methylperoxymethyl)quinolin-5-yl]oxycyclopentyl]ethanone
CID 91353525
3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentane-1-carbaldehyde
CID 20711976
cis-methyl (1R,2R)-2-ethenyl-1-[[(1S)-3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentanecarbonyl]amino]cyclopropane-1-carboxylate
CID 59963737
1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone
CID 141203944
cis-methyl (1R,2R)-2-ethenyl-1-[[(1S)-3-[2-[(2Z)-2-hydrazinylideneacetyl]-7-methoxyquinolin-4-yl]oxycyclopentanecarbonyl]amino]cyclopropane-1-carboxylate
CID 91022448
(1R,2S,4S)-2-amino-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid
CID 69315373
(1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid
CID 59441103
trans-(1S,3S)-3-(2-ethoxy-7-methoxyquinolin-4-yl)oxy-N-[(1R,2S)-2-[(Z)-6-[formyl(methyl)amino]hex-1-enyl]cyclopropyl]cyclopentane-1-carboxamide
CID 143672584
(2S)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylsulfonylpyrrolidine-2-carboxylic acid
CID 143643438
2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid
CID 141060869
2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574913
(2S)-1-(benzylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid
CID 143643502

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentyl]ethanone?
The IUPAC name of 1-[3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentyl]ethanone (CID 22082813) is 1-[3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentyl]ethanone.
What is the SMILES notation for 1-[3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentyl]ethanone?
The canonical SMILES for 1-[3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentyl]ethanone is COOCc1cc(OC2CCC(C(C)=O)C2)c2ccc(OC)cc2n1.
What is the InChIKey of 1-[3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentyl]ethanone?
The InChIKey is YZYXKGNESWSUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-12(21)13-4-5-16(8-13)25-19-9-14(11-24-23-3)20-18-10-15(22-2)6-7-17(18)19/h6-7,9-10,13,16H,4-5,8,11H2,1-3H3.
What are the key properties of 1-[3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentyl]ethanone?
1-[3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentyl]ethanone has a molecular weight of 345.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentyl]ethanone is sourced from PubChem (CID 22082813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).