3-(8-nitroquinolin-5-yl)oxypropanehydrazide

C12H12N4O4 — CID 116525701

IUPAC3-(8-nitroquinolin-5-yl)oxypropanehydrazide
SMILESNNC(=O)CCOc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C12H12N4O4/c13-15-11(17)5-7-20-10-4-3-9(16(18)19)12-8(10)2-1-6-14-12/h1-4,6H,5,7,13H2,(H,15,17)
InChIKeyQLXVWZJEICIUNA-UHFFFAOYSA-N
MW276.25 g/mol
LogP0.90
Rot. Bonds5

About 3-(8-nitroquinolin-5-yl)oxypropanehydrazide

3-(8-nitroquinolin-5-yl)oxypropanehydrazide (PubChem CID 116525701) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is 3-(8-nitroquinolin-5-yl)oxypropanehydrazide.

Molecular Properties

Compound Name3-(8-nitroquinolin-5-yl)oxypropanehydrazide
PubChem CID116525701
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Name3-(8-nitroquinolin-5-yl)oxypropanehydrazide
SMILESNNC(=O)CCOc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C12H12N4O4/c13-15-11(17)5-7-20-10-4-3-9(16(18)19)12-8(10)2-1-6-14-12/h1-4,6H,5,7,13H2,(H,15,17)
InChIKeyQLXVWZJEICIUNA-UHFFFAOYSA-N
XLogP0.90
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(5-nitroquinolin-8-yl)oxypropanoate
CID 60865673
(8-nitroquinolin-5-yl) carbonochloridate
CID 116525781
trifluoro-[(8-nitroquinolin-5-yl)oxymethyl]boranuide
CID 116525706
2,2-dimethyl-3-(8-nitroquinolin-5-yl)oxypropanoic acid
CID 116524918
methyl 2-(8-nitroquinolin-5-yl)oxypropanoate
CID 116524927
3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol
CID 116525665
3-(5-chloro-2-nitrophenoxy)propanehydrazide
CID 63568929
2-(8-nitroquinolin-5-yl)oxyaniline
CID 61027570
1-O-methyl 6-O-[(5-nitroquinolin-8-yl)oxymethyl] hexanedioate
CID 149115733
1-(ethylamino)-3-(8-nitroquinolin-5-yl)oxypropan-2-ol
CID 116525049
4-(8-nitroquinolin-5-yl)oxyaniline
CID 8002854
5-(2-nitrophenoxy)pentanehydrazide
CID 63576866

Frequently Asked Questions

What is the IUPAC name of 3-(8-nitroquinolin-5-yl)oxypropanehydrazide?
The IUPAC name of 3-(8-nitroquinolin-5-yl)oxypropanehydrazide (CID 116525701) is 3-(8-nitroquinolin-5-yl)oxypropanehydrazide.
What is the SMILES notation for 3-(8-nitroquinolin-5-yl)oxypropanehydrazide?
The canonical SMILES for 3-(8-nitroquinolin-5-yl)oxypropanehydrazide is NNC(=O)CCOc1ccc([N+](=O)[O-])c2ncccc12.
What is the InChIKey of 3-(8-nitroquinolin-5-yl)oxypropanehydrazide?
The InChIKey is QLXVWZJEICIUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c13-15-11(17)5-7-20-10-4-3-9(16(18)19)12-8(10)2-1-6-14-12/h1-4,6H,5,7,13H2,(H,15,17).
What are the key properties of 3-(8-nitroquinolin-5-yl)oxypropanehydrazide?
3-(8-nitroquinolin-5-yl)oxypropanehydrazide has a molecular weight of 276.25 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-nitroquinolin-5-yl)oxypropanehydrazide is sourced from PubChem (CID 116525701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).