5-ethyl-7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]quinolin-8-ol

C21H22FNO3 — CID 89232498

IUPAC5-ethyl-7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]quinolin-8-ol
SMILESCCOOCc1cc(CC)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C21H22FNO3/c1-3-16-11-17(13-26-25-4-2)21(24)20-19(16)10-15(12-23-20)9-14-5-7-18(22)8-6-14/h5-8,10-12,24H,3-4,9,13H2,1-2H3
InChIKeyVZIGZRIFISYZCO-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.70
Rot. Bonds7

About 5-ethyl-7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]quinolin-8-ol

5-ethyl-7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]quinolin-8-ol (PubChem CID 89232498) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is 5-ethyl-7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-ethyl-7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]quinolin-8-ol
PubChem CID89232498
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name5-ethyl-7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]quinolin-8-ol
SMILESCCOOCc1cc(CC)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C21H22FNO3/c1-3-16-11-17(13-26-25-4-2)21(24)20-19(16)10-15(12-23-20)9-14-5-7-18(22)8-6-14/h5-8,10-12,24H,3-4,9,13H2,1-2H3
InChIKeyVZIGZRIFISYZCO-UHFFFAOYSA-N
XLogP4.70
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-8-hydroxyquinoline
CID 71208
5-(Hydroxymethyl)quinolin-8-ol
CID 675786
8-Quinolinol, 7-(4-ethyl-1-methyloctyl)-
CID 166430
5,7-Dimethyl-8-quinolinol
CID 762732
7-[(4-Ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 3384730
Unii-8KG95Q2dqh
CID 25268906
8-Hydroxy-5,7-dimethylquinoline-2-carbaldehyde oxime
CID 135472362
5-Methoxymethyl-7-piperidin-1-ylmethyl-quinolin-8-ol
CID 598979
5-(Methoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol
CID 683744
5-(Methoxymethyl)-7-(1-pyrrolidinylmethyl)-8-quinolinol
CID 689261
5-[(8-Hydroxyquinolin-5-yl)methyl]quinolin-8-ol
CID 761547
5-((Benzyloxy)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 3426979

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]quinolin-8-ol?
The IUPAC name of 5-ethyl-7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]quinolin-8-ol (CID 89232498) is 5-ethyl-7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]quinolin-8-ol.
What is the SMILES notation for 5-ethyl-7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]quinolin-8-ol?
The canonical SMILES for 5-ethyl-7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]quinolin-8-ol is CCOOCc1cc(CC)c2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of 5-ethyl-7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]quinolin-8-ol?
The InChIKey is VZIGZRIFISYZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO3/c1-3-16-11-17(13-26-25-4-2)21(24)20-19(16)10-15(12-23-20)9-14-5-7-18(22)8-6-14/h5-8,10-12,24H,3-4,9,13H2,1-2H3.
What are the key properties of 5-ethyl-7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]quinolin-8-ol?
5-ethyl-7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]quinolin-8-ol has a molecular weight of 355.41 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]quinolin-8-ol is sourced from PubChem (CID 89232498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).