4-bromo-N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide

C18H13BrClN3O3 — CID 78858732

IUPAC4-bromo-N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide
SMILESO=C(COc1ccc(Cl)c2cccnc12)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H13BrClN3O3/c19-12-5-3-11(4-6-12)18(25)23-22-16(24)10-26-15-8-7-14(20)13-2-1-9-21-17(13)15/h1-9H,10H2,(H,22,24)(H,23,25)
InChIKeyCZCOSNFQDNEYJH-UHFFFAOYSA-N
MW434.68 g/mol
LogP3.49
Rot. Bonds4

About 4-bromo-N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide

4-bromo-N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide (PubChem CID 78858732) has the molecular formula C18H13BrClN3O3 and a molecular weight of 434.68 g/mol. Its IUPAC name is 4-bromo-N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide
PubChem CID78858732
Molecular FormulaC18H13BrClN3O3
Molecular Weight434.68 g/mol
Exact Mass432.98
IUPAC Name4-bromo-N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide
SMILESO=C(COc1ccc(Cl)c2cccnc12)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H13BrClN3O3/c19-12-5-3-11(4-6-12)18(25)23-22-16(24)10-26-15-8-7-14(20)13-2-1-9-21-17(13)15/h1-9H,10H2,(H,22,24)(H,23,25)
InChIKeyCZCOSNFQDNEYJH-UHFFFAOYSA-N
XLogP3.49
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.68
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide
CID 55602763
4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
CID 54790834
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
N-(4-bromo-2,6-difluorophenyl)sulfonyl-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 167890688
2-(5-chloroquinolin-8-yl)oxy-N-(2,6-dimethylphenyl)acetamide
CID 8716363
N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 47104754
N-(2-acetylphenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716322
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide
CID 119505408
N-(2-chloro-4,6-dimethylphenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716287
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride
CID 119505407
2-(5-chloroquinolin-8-yl)oxy-N-[3-(methylamino)propyl]acetamide;dihydrochloride
CID 119430250
2-(5-chloroquinolin-8-yl)oxy-N-(1-methoxypropan-2-yl)acetamide
CID 51172403

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide (CID 78858732) is 4-bromo-N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide is O=C(COc1ccc(Cl)c2cccnc12)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide?
The InChIKey is CZCOSNFQDNEYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClN3O3/c19-12-5-3-11(4-6-12)18(25)23-22-16(24)10-26-15-8-7-14(20)13-2-1-9-21-17(13)15/h1-9H,10H2,(H,22,24)(H,23,25).
What are the key properties of 4-bromo-N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide?
4-bromo-N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide has a molecular weight of 434.68 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide is sourced from PubChem (CID 78858732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).