3-(7-bromo-4-oxoquinolin-1-yl)propanehydrazide

C12H12BrN3O2 — CID 53264328

IUPAC3-(7-bromo-4-oxoquinolin-1-yl)propanehydrazide
SMILESNNC(=O)CCn1ccc(=O)c2ccc(Br)cc21
InChIInChI=1S/C12H12BrN3O2/c13-8-1-2-9-10(7-8)16(5-3-11(9)17)6-4-12(18)15-14/h1-3,5,7H,4,6,14H2,(H,15,18)
InChIKeyOCJQNOMIURZUQV-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.14
Rot. Bonds3

About 3-(7-bromo-4-oxoquinolin-1-yl)propanehydrazide

3-(7-bromo-4-oxoquinolin-1-yl)propanehydrazide (PubChem CID 53264328) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 3-(7-bromo-4-oxoquinolin-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(7-bromo-4-oxoquinolin-1-yl)propanehydrazide
PubChem CID53264328
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name3-(7-bromo-4-oxoquinolin-1-yl)propanehydrazide
SMILESNNC(=O)CCn1ccc(=O)c2ccc(Br)cc21
InChIInChI=1S/C12H12BrN3O2/c13-8-1-2-9-10(7-8)16(5-3-11(9)17)6-4-12(18)15-14/h1-3,5,7H,4,6,14H2,(H,15,18)
InChIKeyOCJQNOMIURZUQV-UHFFFAOYSA-N
XLogP1.14
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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 3-(7-bromo-4-oxoquinolin-1-yl)propanehydrazide?
The IUPAC name of 3-(7-bromo-4-oxoquinolin-1-yl)propanehydrazide (CID 53264328) is 3-(7-bromo-4-oxoquinolin-1-yl)propanehydrazide.
What is the SMILES notation for 3-(7-bromo-4-oxoquinolin-1-yl)propanehydrazide?
The canonical SMILES for 3-(7-bromo-4-oxoquinolin-1-yl)propanehydrazide is NNC(=O)CCn1ccc(=O)c2ccc(Br)cc21.
What is the InChIKey of 3-(7-bromo-4-oxoquinolin-1-yl)propanehydrazide?
The InChIKey is OCJQNOMIURZUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c13-8-1-2-9-10(7-8)16(5-3-11(9)17)6-4-12(18)15-14/h1-3,5,7H,4,6,14H2,(H,15,18).
What are the key properties of 3-(7-bromo-4-oxoquinolin-1-yl)propanehydrazide?
3-(7-bromo-4-oxoquinolin-1-yl)propanehydrazide has a molecular weight of 310.15 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-4-oxoquinolin-1-yl)propanehydrazide is sourced from PubChem (CID 53264328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).