5-(4-oxoquinolin-1-yl)pentanehydrazide

C14H17N3O2 — CID 63582620

IUPAC5-(4-oxoquinolin-1-yl)pentanehydrazide
SMILESNNC(=O)CCCCn1ccc(=O)c2ccccc21
InChIInChI=1S/C14H17N3O2/c15-16-14(19)7-3-4-9-17-10-8-13(18)11-5-1-2-6-12(11)17/h1-2,5-6,8,10H,3-4,7,9,15H2,(H,16,19)
InChIKeyPWLVHYNYAADJJQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.16
Rot. Bonds5

About 5-(4-oxoquinolin-1-yl)pentanehydrazide

5-(4-oxoquinolin-1-yl)pentanehydrazide (PubChem CID 63582620) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(4-oxoquinolin-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(4-oxoquinolin-1-yl)pentanehydrazide
PubChem CID63582620
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(4-oxoquinolin-1-yl)pentanehydrazide
SMILESNNC(=O)CCCCn1ccc(=O)c2ccccc21
InChIInChI=1S/C14H17N3O2/c15-16-14(19)7-3-4-9-17-10-8-13(18)11-5-1-2-6-12(11)17/h1-2,5-6,8,10H,3-4,7,9,15H2,(H,16,19)
InChIKeyPWLVHYNYAADJJQ-UHFFFAOYSA-N
XLogP1.16
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 5-(4-oxoquinolin-1-yl)pentanehydrazide?
The IUPAC name of 5-(4-oxoquinolin-1-yl)pentanehydrazide (CID 63582620) is 5-(4-oxoquinolin-1-yl)pentanehydrazide.
What is the SMILES notation for 5-(4-oxoquinolin-1-yl)pentanehydrazide?
The canonical SMILES for 5-(4-oxoquinolin-1-yl)pentanehydrazide is NNC(=O)CCCCn1ccc(=O)c2ccccc21.
What is the InChIKey of 5-(4-oxoquinolin-1-yl)pentanehydrazide?
The InChIKey is PWLVHYNYAADJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-16-14(19)7-3-4-9-17-10-8-13(18)11-5-1-2-6-12(11)17/h1-2,5-6,8,10H,3-4,7,9,15H2,(H,16,19).
What are the key properties of 5-(4-oxoquinolin-1-yl)pentanehydrazide?
5-(4-oxoquinolin-1-yl)pentanehydrazide has a molecular weight of 259.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-oxoquinolin-1-yl)pentanehydrazide is sourced from PubChem (CID 63582620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).