3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentane-1-carbaldehyde

C18H21NO5 — CID 20711976

IUPAC3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentane-1-carbaldehyde
SMILESCOOCc1cc(OC2CCC(C=O)C2)c2ccc(OC)cc2n1
InChIInChI=1S/C18H21NO5/c1-21-14-5-6-16-17(9-14)19-13(11-23-22-2)8-18(16)24-15-4-3-12(7-15)10-20/h5-6,8-10,12,15H,3-4,7,11H2,1-2H3
InChIKeyPHHXZOHFUXMXNN-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.07
Rot. Bonds7

About 3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentane-1-carbaldehyde

3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentane-1-carbaldehyde (PubChem CID 20711976) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentane-1-carbaldehyde
PubChem CID20711976
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentane-1-carbaldehyde
SMILESCOOCc1cc(OC2CCC(C=O)C2)c2ccc(OC)cc2n1
InChIInChI=1S/C18H21NO5/c1-21-14-5-6-16-17(9-14)19-13(11-23-22-2)8-18(16)24-15-4-3-12(7-15)10-20/h5-6,8-10,12,15H,3-4,7,11H2,1-2H3
InChIKeyPHHXZOHFUXMXNN-UHFFFAOYSA-N
XLogP3.07
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentyl]ethanone
CID 22082813
cis-methyl (1R,2R)-2-ethenyl-1-[[(1S)-3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentanecarbonyl]amino]cyclopropane-1-carboxylate
CID 59963737
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-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde
CID 118050407
7-methoxy-2-methylquinazoline-4-carbaldehyde
CID 105454201
N-cyclopentyl-7-methoxy-2-methylquinolin-4-amine
CID 110432874
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
(1R,2S,4S)-2-amino-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid
CID 69315373
7-methoxyquinazoline-4-carbaldehyde
CID 105442986
7-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde
CID 87746150
1-O-tert-butyl 2-O-methyl 4-(2-cyclopropyl-7-methoxyquinolin-4-yl)oxypyrrolidine-1,2-dicarboxylate
CID 20773673
4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline
CID 143036531

Frequently Asked Questions

What is the IUPAC name of 3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentane-1-carbaldehyde?
The IUPAC name of 3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentane-1-carbaldehyde (CID 20711976) is 3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentane-1-carbaldehyde.
What is the SMILES notation for 3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentane-1-carbaldehyde?
The canonical SMILES for 3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentane-1-carbaldehyde is COOCc1cc(OC2CCC(C=O)C2)c2ccc(OC)cc2n1.
What is the InChIKey of 3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentane-1-carbaldehyde?
The InChIKey is PHHXZOHFUXMXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-21-14-5-6-16-17(9-14)19-13(11-23-22-2)8-18(16)24-15-4-3-12(7-15)10-20/h5-6,8-10,12,15H,3-4,7,11H2,1-2H3.
What are the key properties of 3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentane-1-carbaldehyde?
3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentane-1-carbaldehyde has a molecular weight of 331.37 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-methoxy-2-(methylperoxymethyl)quinolin-4-yl]oxycyclopentane-1-carbaldehyde is sourced from PubChem (CID 20711976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).