2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide

C19H17BrN4O4 — CID 55428094

IUPAC2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C19H17BrN4O4/c1-12(28-14-6-4-5-13(20)9-14)19(27)23-22-18(26)11-24-16-8-3-2-7-15(16)17(25)10-21-24/h2-10,12H,11H2,1H3,(H,22,26)(H,23,27)
InChIKeyXRQIKNZTRJNDIQ-UHFFFAOYSA-N
MW445.27 g/mol
LogP1.77
Rot. Bonds5

About 2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide

2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide (PubChem CID 55428094) has the molecular formula C19H17BrN4O4 and a molecular weight of 445.27 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide
PubChem CID55428094
Molecular FormulaC19H17BrN4O4
Molecular Weight445.27 g/mol
Exact Mass444.04
IUPAC Name2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C19H17BrN4O4/c1-12(28-14-6-4-5-13(20)9-14)19(27)23-22-18(26)11-24-16-8-3-2-7-15(16)17(25)10-21-24/h2-10,12H,11H2,1H3,(H,22,26)(H,23,27)
InChIKeyXRQIKNZTRJNDIQ-UHFFFAOYSA-N
XLogP1.77
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776
N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 55905258
(2S)-2-(3-bromophenoxy)-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]propanehydrazide
CID 9154824
N-[1-(4-bromophenyl)propyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55414888
N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide
CID 25485810
(2S)-2-(3-bromophenoxy)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
CID 9371251
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide
CID 9084630
(2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide
CID 9154984
N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide
CID 78672212
2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide
CID 55789410

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide?
The IUPAC name of 2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide (CID 55428094) is 2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide.
What is the SMILES notation for 2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide?
The canonical SMILES for 2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide is CC(Oc1cccc(Br)c1)C(=O)NNC(=O)Cn1ncc(=O)c2ccccc21.
What is the InChIKey of 2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide?
The InChIKey is XRQIKNZTRJNDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O4/c1-12(28-14-6-4-5-13(20)9-14)19(27)23-22-18(26)11-24-16-8-3-2-7-15(16)17(25)10-21-24/h2-10,12H,11H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide?
2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide has a molecular weight of 445.27 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide is sourced from PubChem (CID 55428094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).