[4-(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)oxy-4-oxobutanimidoyl] 8-hydroxy-4-oxo-1H-quinoline-2-carboxylate

C24H17N3O9 — CID 19094691

IUPAC[4-(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)oxy-4-oxobutanimidoyl] 8-hydroxy-4-oxo-1H-quinoline-2-carboxylate
SMILES[H]/N=C(\CCC(=O)OC(=O)c1cc(=O)c2cccc(O)c2[nH]1)OC(=O)c1cc(=O)c2cccc(O)c2[nH]1
InChIInChI=1S/C24H17N3O9/c25-19(35-23(33)13-9-17(30)11-3-1-5-15(28)21(11)26-13)7-8-20(32)36-24(34)14-10-18(31)12-4-2-6-16(29)22(12)27-14/h1-6,9-10,25,28-29H,7-8H2,(H,26,30)(H,27,31)/b25-19+
InChIKeyZOOYCQQTBOKZDT-NCELDCMTSA-N
MW491.41 g/mol
LogP2.08
Rot. Bonds5

About [4-(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)oxy-4-oxobutanimidoyl] 8-hydroxy-4-oxo-1H-quinoline-2-carboxylate

[4-(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)oxy-4-oxobutanimidoyl] 8-hydroxy-4-oxo-1H-quinoline-2-carboxylate (PubChem CID 19094691) has the molecular formula C24H17N3O9 and a molecular weight of 491.41 g/mol. Its IUPAC name is [4-(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)oxy-4-oxobutanimidoyl] 8-hydroxy-4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Name[4-(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)oxy-4-oxobutanimidoyl] 8-hydroxy-4-oxo-1H-quinoline-2-carboxylate
PubChem CID19094691
Molecular FormulaC24H17N3O9
Molecular Weight491.41 g/mol
Exact Mass491.10
IUPAC Name[4-(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)oxy-4-oxobutanimidoyl] 8-hydroxy-4-oxo-1H-quinoline-2-carboxylate
SMILES[H]/N=C(\CCC(=O)OC(=O)c1cc(=O)c2cccc(O)c2[nH]1)OC(=O)c1cc(=O)c2cccc(O)c2[nH]1
InChIInChI=1S/C24H17N3O9/c25-19(35-23(33)13-9-17(30)11-3-1-5-15(28)21(11)26-13)7-8-20(32)36-24(34)14-10-18(31)12-4-2-6-16(29)22(12)27-14/h1-6,9-10,25,28-29H,7-8H2,(H,26,30)(H,27,31)/b25-19+
InChIKeyZOOYCQQTBOKZDT-NCELDCMTSA-N
XLogP2.08
TPSA199.70 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.41
LogP ≤ 52.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [4-(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)oxy-4-oxobutanimidoyl] 8-hydroxy-4-oxo-1H-quinoline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)oxy-4-oxobutanimidoyl] 8-hydroxy-4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of [4-(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)oxy-4-oxobutanimidoyl] 8-hydroxy-4-oxo-1H-quinoline-2-carboxylate (CID 19094691) is [4-(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)oxy-4-oxobutanimidoyl] 8-hydroxy-4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for [4-(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)oxy-4-oxobutanimidoyl] 8-hydroxy-4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for [4-(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)oxy-4-oxobutanimidoyl] 8-hydroxy-4-oxo-1H-quinoline-2-carboxylate is [H]/N=C(\CCC(=O)OC(=O)c1cc(=O)c2cccc(O)c2[nH]1)OC(=O)c1cc(=O)c2cccc(O)c2[nH]1.
What is the InChIKey of [4-(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)oxy-4-oxobutanimidoyl] 8-hydroxy-4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is ZOOYCQQTBOKZDT-NCELDCMTSA-N. The full InChI is InChI=1S/C24H17N3O9/c25-19(35-23(33)13-9-17(30)11-3-1-5-15(28)21(11)26-13)7-8-20(32)36-24(34)14-10-18(31)12-4-2-6-16(29)22(12)27-14/h1-6,9-10,25,28-29H,7-8H2,(H,26,30)(H,27,31)/b25-19+.
What are the key properties of [4-(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)oxy-4-oxobutanimidoyl] 8-hydroxy-4-oxo-1H-quinoline-2-carboxylate?
[4-(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)oxy-4-oxobutanimidoyl] 8-hydroxy-4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 491.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)oxy-4-oxobutanimidoyl] 8-hydroxy-4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 19094691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).