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

C13H13N3O4 — CID 54696402

IUPAC4-hydroxy-2-oxo-N'-propanoyl-1H-quinoline-3-carbohydrazide
SMILESCCC(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C13H13N3O4/c1-2-9(17)15-16-13(20)10-11(18)7-5-3-4-6-8(7)14-12(10)19/h3-6H,2H2,1H3,(H,15,17)(H,16,20)(H2,14,18,19)
InChIKeyFTJBBUPVSROXSG-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.40
Rot. Bonds2

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

4-hydroxy-2-oxo-N'-propanoyl-1H-quinoline-3-carbohydrazide (PubChem CID 54696402) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N'-propanoyl-1H-quinoline-3-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N'-propanoyl-1H-quinoline-3-carbohydrazide
PubChem CID54696402
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name4-hydroxy-2-oxo-N'-propanoyl-1H-quinoline-3-carbohydrazide
SMILESCCC(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C13H13N3O4/c1-2-9(17)15-16-13(20)10-11(18)7-5-3-4-6-8(7)14-12(10)19/h3-6H,2H2,1H3,(H,15,17)(H,16,20)(H2,14,18,19)
InChIKeyFTJBBUPVSROXSG-UHFFFAOYSA-N
XLogP0.40
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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'-propanoyl-1H-quinoline-3-carbohydrazide?
The IUPAC name of 4-hydroxy-2-oxo-N'-propanoyl-1H-quinoline-3-carbohydrazide (CID 54696402) is 4-hydroxy-2-oxo-N'-propanoyl-1H-quinoline-3-carbohydrazide.
What is the SMILES notation for 4-hydroxy-2-oxo-N'-propanoyl-1H-quinoline-3-carbohydrazide?
The canonical SMILES for 4-hydroxy-2-oxo-N'-propanoyl-1H-quinoline-3-carbohydrazide is CCC(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-oxo-N'-propanoyl-1H-quinoline-3-carbohydrazide?
The InChIKey is FTJBBUPVSROXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-2-9(17)15-16-13(20)10-11(18)7-5-3-4-6-8(7)14-12(10)19/h3-6H,2H2,1H3,(H,15,17)(H,16,20)(H2,14,18,19).
What are the key properties of 4-hydroxy-2-oxo-N'-propanoyl-1H-quinoline-3-carbohydrazide?
4-hydroxy-2-oxo-N'-propanoyl-1H-quinoline-3-carbohydrazide has a molecular weight of 275.26 g/mol, XLogP of 0.40, 2 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'-propanoyl-1H-quinoline-3-carbohydrazide is sourced from PubChem (CID 54696402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).