4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide

C21H29N3O4 — CID 54687081

IUPAC4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide
SMILESCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C21H29N3O4/c1-2-3-4-5-6-7-8-9-14-17(25)23-24-21(28)18-19(26)15-12-10-11-13-16(15)22-20(18)27/h10-13H,2-9,14H2,1H3,(H,23,25)(H,24,28)(H2,22,26,27)
InChIKeyAREWMXPTNANQMD-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.53
Rot. Bonds10

About 4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide

4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide (PubChem CID 54687081) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide
PubChem CID54687081
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide
SMILESCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C21H29N3O4/c1-2-3-4-5-6-7-8-9-14-17(25)23-24-21(28)18-19(26)15-12-10-11-13-16(15)22-20(18)27/h10-13H,2-9,14H2,1H3,(H,23,25)(H,24,28)(H2,22,26,27)
InChIKeyAREWMXPTNANQMD-UHFFFAOYSA-N
XLogP3.53
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.53
H-Bond Donors ≤ 54
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide?
The IUPAC name of 4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide (CID 54687081) is 4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide.
What is the SMILES notation for 4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide?
The canonical SMILES for 4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide is CCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide?
The InChIKey is AREWMXPTNANQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-2-3-4-5-6-7-8-9-14-17(25)23-24-21(28)18-19(26)15-12-10-11-13-16(15)22-20(18)27/h10-13H,2-9,14H2,1H3,(H,23,25)(H,24,28)(H2,22,26,27).
What are the key properties of 4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide?
4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide has a molecular weight of 387.48 g/mol, XLogP of 3.53, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide is sourced from PubChem (CID 54687081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).