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

C18H14ClN3O3 — CID 55602763

IUPACN'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide
SMILESO=C(COc1ccc(Cl)c2cccnc12)NNC(=O)c1ccccc1
InChIInChI=1S/C18H14ClN3O3/c19-14-8-9-15(17-13(14)7-4-10-20-17)25-11-16(23)21-22-18(24)12-5-2-1-3-6-12/h1-10H,11H2,(H,21,23)(H,22,24)
InChIKeyAOCCEGPRUCIMED-UHFFFAOYSA-N
MW355.78 g/mol
LogP2.73
Rot. Bonds4

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

N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide (PubChem CID 55602763) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide
PubChem CID55602763
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC NameN'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide
SMILESO=C(COc1ccc(Cl)c2cccnc12)NNC(=O)c1ccccc1
InChIInChI=1S/C18H14ClN3O3/c19-14-8-9-15(17-13(14)7-4-10-20-17)25-11-16(23)21-22-18(24)12-5-2-1-3-6-12/h1-10H,11H2,(H,21,23)(H,22,24)
InChIKeyAOCCEGPRUCIMED-UHFFFAOYSA-N
XLogP2.73
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 52.73
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

4-bromo-N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide
CID 78858732
N'-(2-quinolin-8-yloxyacetyl)benzohydrazide
CID 2981693
N-(2-acetylphenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716322
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 47104754
2-(5-chloroquinolin-8-yl)oxy-N-(2,6-dimethylphenyl)acetamide
CID 8716363
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide
CID 119505408
2-(5-chloroquinolin-8-yl)oxy-N-[2-(2-methylphenyl)ethyl]acetamide
CID 9330887
(2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid
CID 119363599
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
N-(5-chloro-2-fluorophenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716254

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide?
The IUPAC name of N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide (CID 55602763) is N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide?
The canonical SMILES for N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide is O=C(COc1ccc(Cl)c2cccnc12)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide?
The InChIKey is AOCCEGPRUCIMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c19-14-8-9-15(17-13(14)7-4-10-20-17)25-11-16(23)21-22-18(24)12-5-2-1-3-6-12/h1-10H,11H2,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide?
N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide has a molecular weight of 355.78 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide is sourced from PubChem (CID 55602763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).