N'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide

C13H14N4O4 — CID 116525378

IUPACN'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide
SMILESCCC(Oc1ccc([N+](=O)[O-])c2ncccc12)/C(N)=N/O
InChIInChI=1S/C13H14N4O4/c1-2-10(13(14)16-18)21-11-6-5-9(17(19)20)12-8(11)4-3-7-15-12/h3-7,10,18H,2H2,1H3,(H2,14,16)
InChIKeyANTUZMJACIZPEJ-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.05
Rot. Bonds5

About N'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide

N'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide (PubChem CID 116525378) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is N'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide
PubChem CID116525378
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC NameN'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide
SMILESCCC(Oc1ccc([N+](=O)[O-])c2ncccc12)/C(N)=N/O
InChIInChI=1S/C13H14N4O4/c1-2-10(13(14)16-18)21-11-6-5-9(17(19)20)12-8(11)4-3-7-15-12/h3-7,10,18H,2H2,1H3,(H2,14,16)
InChIKeyANTUZMJACIZPEJ-UHFFFAOYSA-N
XLogP2.05
TPSA123.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(8-nitroquinolin-5-yl)oxypropanoate
CID 116524927
2-(2,5-dimethyl-4-nitrophenoxy)-N'-hydroxybutanimidamide
CID 76988070
3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol
CID 116525665
N'-hydroxy-2-(5-nitroquinolin-8-yl)oxyethanimidamide
CID 71320044
1-(ethylamino)-3-(8-nitroquinolin-5-yl)oxypropan-2-ol
CID 116525049
4-(8-nitroquinolin-5-yl)oxyaniline
CID 8002854
(8-nitroquinolin-5-yl) carbonochloridate
CID 116525781
2-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide
CID 76915869
trifluoro-[(8-nitroquinolin-5-yl)oxymethyl]boranuide
CID 116525706
2,2-dimethyl-3-(8-nitroquinolin-5-yl)oxypropanoic acid
CID 116524918
5-(8-nitroquinolin-5-yl)oxypyrazin-2-amine
CID 116525775
3-(8-nitroquinolin-5-yl)oxypropanehydrazide
CID 116525701

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide?
The IUPAC name of N'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide (CID 116525378) is N'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide.
What is the SMILES notation for N'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide?
The canonical SMILES for N'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide is CCC(Oc1ccc([N+](=O)[O-])c2ncccc12)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide?
The InChIKey is ANTUZMJACIZPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-2-10(13(14)16-18)21-11-6-5-9(17(19)20)12-8(11)4-3-7-15-12/h3-7,10,18H,2H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide?
N'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide has a molecular weight of 290.28 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide is sourced from PubChem (CID 116525378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).