pentyl 2-(2-hydrazinylquinolin-8-yl)oxyacetate

C16H21N3O3 — CID 82108446

IUPACpentyl 2-(2-hydrazinylquinolin-8-yl)oxyacetate
SMILESCCCCCOC(=O)COc1cccc2ccc(NN)nc12
InChIInChI=1S/C16H21N3O3/c1-2-3-4-10-21-15(20)11-22-13-7-5-6-12-8-9-14(19-17)18-16(12)13/h5-9H,2-4,10-11,17H2,1H3,(H,18,19)
InChIKeyNHBRNTUOXPBUAG-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.63
Rot. Bonds8

About pentyl 2-(2-hydrazinylquinolin-8-yl)oxyacetate

pentyl 2-(2-hydrazinylquinolin-8-yl)oxyacetate (PubChem CID 82108446) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is pentyl 2-(2-hydrazinylquinolin-8-yl)oxyacetate.

Molecular Properties

Compound Namepentyl 2-(2-hydrazinylquinolin-8-yl)oxyacetate
PubChem CID82108446
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Namepentyl 2-(2-hydrazinylquinolin-8-yl)oxyacetate
SMILESCCCCCOC(=O)COc1cccc2ccc(NN)nc12
InChIInChI=1S/C16H21N3O3/c1-2-3-4-10-21-15(20)11-22-13-7-5-6-12-8-9-14(19-17)18-16(12)13/h5-9H,2-4,10-11,17H2,1H3,(H,18,19)
InChIKeyNHBRNTUOXPBUAG-UHFFFAOYSA-N
XLogP2.63
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 pentyl 2-(2-hydrazinylquinolin-8-yl)oxyacetate?
The IUPAC name of pentyl 2-(2-hydrazinylquinolin-8-yl)oxyacetate (CID 82108446) is pentyl 2-(2-hydrazinylquinolin-8-yl)oxyacetate.
What is the SMILES notation for pentyl 2-(2-hydrazinylquinolin-8-yl)oxyacetate?
The canonical SMILES for pentyl 2-(2-hydrazinylquinolin-8-yl)oxyacetate is CCCCCOC(=O)COc1cccc2ccc(NN)nc12.
What is the InChIKey of pentyl 2-(2-hydrazinylquinolin-8-yl)oxyacetate?
The InChIKey is NHBRNTUOXPBUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-3-4-10-21-15(20)11-22-13-7-5-6-12-8-9-14(19-17)18-16(12)13/h5-9H,2-4,10-11,17H2,1H3,(H,18,19).
What are the key properties of pentyl 2-(2-hydrazinylquinolin-8-yl)oxyacetate?
pentyl 2-(2-hydrazinylquinolin-8-yl)oxyacetate has a molecular weight of 303.36 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-(2-hydrazinylquinolin-8-yl)oxyacetate is sourced from PubChem (CID 82108446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).