7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5-carboxamide

C20H19FN2O4 — CID 88870180

IUPAC7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5-carboxamide
SMILESCCOOCc1cc(C(N)=O)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C20H19FN2O4/c1-2-26-27-11-14-9-17(20(22)25)16-8-13(10-23-18(16)19(14)24)7-12-3-5-15(21)6-4-12/h3-6,8-10,24H,2,7,11H2,1H3,(H2,22,25)
InChIKeyYCBHTKKQNVOBKZ-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.24
Rot. Bonds7

About 7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5-carboxamide

7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5-carboxamide (PubChem CID 88870180) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5-carboxamide.

Molecular Properties

Compound Name7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5-carboxamide
PubChem CID88870180
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5-carboxamide
SMILESCCOOCc1cc(C(N)=O)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C20H19FN2O4/c1-2-26-27-11-14-9-17(20(22)25)16-8-13(10-23-18(16)19(14)24)7-12-3-5-15(21)6-4-12/h3-6,8-10,24H,2,7,11H2,1H3,(H2,22,25)
InChIKeyYCBHTKKQNVOBKZ-UHFFFAOYSA-N
XLogP3.24
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5-carboxamide?
The IUPAC name of 7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5-carboxamide (CID 88870180) is 7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5-carboxamide.
What is the SMILES notation for 7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5-carboxamide?
The canonical SMILES for 7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5-carboxamide is CCOOCc1cc(C(N)=O)c2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of 7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5-carboxamide?
The InChIKey is YCBHTKKQNVOBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-2-26-27-11-14-9-17(20(22)25)16-8-13(10-23-18(16)19(14)24)7-12-3-5-15(21)6-4-12/h3-6,8-10,24H,2,7,11H2,1H3,(H2,22,25).
What are the key properties of 7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5-carboxamide?
7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5-carboxamide is sourced from PubChem (CID 88870180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).