8-[4-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid

C24H26N2O6 — CID 54731764

IUPAC8-[4-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid
SMILESO=C(O)CCCCCCCOc1ccc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C24H26N2O6/c27-20(28)10-4-2-1-3-7-15-32-17-13-11-16(12-14-17)25-23(30)21-22(29)18-8-5-6-9-19(18)26-24(21)31/h5-6,8-9,11-14H,1-4,7,10,15H2,(H,25,30)(H,27,28)(H2,26,29,31)
InChIKeySZODDCZBJZECSE-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.29
Rot. Bonds11

About 8-[4-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid

8-[4-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid (PubChem CID 54731764) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is 8-[4-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid.

Molecular Properties

Compound Name8-[4-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid
PubChem CID54731764
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name8-[4-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid
SMILESO=C(O)CCCCCCCOc1ccc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C24H26N2O6/c27-20(28)10-4-2-1-3-7-15-32-17-13-11-16(12-14-17)25-23(30)21-22(29)18-8-5-6-9-19(18)26-24(21)31/h5-6,8-9,11-14H,1-4,7,10,15H2,(H,25,30)(H,27,28)(H2,26,29,31)
InChIKeySZODDCZBJZECSE-UHFFFAOYSA-N
XLogP4.29
TPSA128.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid?
The IUPAC name of 8-[4-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid (CID 54731764) is 8-[4-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid.
What is the SMILES notation for 8-[4-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid?
The canonical SMILES for 8-[4-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid is O=C(O)CCCCCCCOc1ccc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 8-[4-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid?
The InChIKey is SZODDCZBJZECSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c27-20(28)10-4-2-1-3-7-15-32-17-13-11-16(12-14-17)25-23(30)21-22(29)18-8-5-6-9-19(18)26-24(21)31/h5-6,8-9,11-14H,1-4,7,10,15H2,(H,25,30)(H,27,28)(H2,26,29,31).
What are the key properties of 8-[4-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid?
8-[4-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid has a molecular weight of 438.48 g/mol, XLogP of 4.29, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid is sourced from PubChem (CID 54731764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).