2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid

C13H13N3O4 — CID 4029060

IUPAC2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid
SMILESO=C(O)CNNC(=O)COc1cccc2cccnc12
InChIInChI=1S/C13H13N3O4/c17-11(16-15-7-12(18)19)8-20-10-5-1-3-9-4-2-6-14-13(9)10/h1-6,15H,7-8H2,(H,16,17)(H,18,19)
InChIKeyIINZFXGUZRPLAJ-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.32
Rot. Bonds6

About 2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid

2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid (PubChem CID 4029060) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid
PubChem CID4029060
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid
SMILESO=C(O)CNNC(=O)COc1cccc2cccnc12
InChIInChI=1S/C13H13N3O4/c17-11(16-15-7-12(18)19)8-20-10-5-1-3-9-4-2-6-14-13(9)10/h1-6,15H,7-8H2,(H,16,17)(H,18,19)
InChIKeyIINZFXGUZRPLAJ-UHFFFAOYSA-N
XLogP0.32
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-quinolin-8-yloxyacetyl)benzohydrazide
CID 2981693
1-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]urea
CID 2981274
N-tert-butyl-2-quinolin-8-yloxyacetamide
CID 7893996
N',N'-dimethyl-2-quinolin-8-yloxyacetohydrazide
CID 116820845
2-quinolin-8-yloxyacetate
CID 6950984
N-(2,2-dimethylpropyl)-2-quinolin-8-yloxyacetamide
CID 99820790
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811
N-(1-aminopropan-2-yl)-2-quinolin-8-yloxyacetamide
CID 110834168
N-(2-ethylphenyl)-2-quinolin-8-yloxyacetamide
CID 40655687
N-(2,3-dimethylphenyl)-2-quinolin-8-yloxyacetamide
CID 94221258
N-(2-tert-butylphenyl)-2-quinolin-8-yloxyacetamide
CID 31050049
N-(3-acetylphenyl)-2-quinolin-8-yloxyacetamide
CID 2595236

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid?
The IUPAC name of 2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid (CID 4029060) is 2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid.
What is the SMILES notation for 2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid?
The canonical SMILES for 2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid is O=C(O)CNNC(=O)COc1cccc2cccnc12.
What is the InChIKey of 2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid?
The InChIKey is IINZFXGUZRPLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-11(16-15-7-12(18)19)8-20-10-5-1-3-9-4-2-6-14-13(9)10/h1-6,15H,7-8H2,(H,16,17)(H,18,19).
What are the key properties of 2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid?
2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid has a molecular weight of 275.26 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid is sourced from PubChem (CID 4029060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).