2-(7-chloro-5-nitroquinolin-8-yl)oxy-N'-hydroxyethanimidamide

C11H9ClN4O4 — CID 127261064

IUPAC2-(7-chloro-5-nitroquinolin-8-yl)oxy-N'-hydroxyethanimidamide
SMILESN/C(COc1c(Cl)cc([N+](=O)[O-])c2cccnc12)=N\O
InChIInChI=1S/C11H9ClN4O4/c12-7-4-8(16(18)19)6-2-1-3-14-10(6)11(7)20-5-9(13)15-17/h1-4,17H,5H2,(H2,13,15)
InChIKeyMDDUSBWFHHCDGF-UHFFFAOYSA-N
MW296.67 g/mol
LogP1.92
Rot. Bonds4

About 2-(7-chloro-5-nitroquinolin-8-yl)oxy-N'-hydroxyethanimidamide

2-(7-chloro-5-nitroquinolin-8-yl)oxy-N'-hydroxyethanimidamide (PubChem CID 127261064) has the molecular formula C11H9ClN4O4 and a molecular weight of 296.67 g/mol. Its IUPAC name is 2-(7-chloro-5-nitroquinolin-8-yl)oxy-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(7-chloro-5-nitroquinolin-8-yl)oxy-N'-hydroxyethanimidamide
PubChem CID127261064
Molecular FormulaC11H9ClN4O4
Molecular Weight296.67 g/mol
Exact Mass296.03
IUPAC Name2-(7-chloro-5-nitroquinolin-8-yl)oxy-N'-hydroxyethanimidamide
SMILESN/C(COc1c(Cl)cc([N+](=O)[O-])c2cccnc12)=N\O
InChIInChI=1S/C11H9ClN4O4/c12-7-4-8(16(18)19)6-2-1-3-14-10(6)11(7)20-5-9(13)15-17/h1-4,17H,5H2,(H2,13,15)
InChIKeyMDDUSBWFHHCDGF-UHFFFAOYSA-N
XLogP1.92
TPSA123.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.67
LogP ≤ 51.92
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'}

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Related Compounds

N'-hydroxy-2-(5-nitroquinolin-8-yl)oxyethanimidamide
CID 71320044
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide
CID 71319984
3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine
CID 83166049
3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide
CID 76935361
N'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide
CID 116525378
2-(5,7-dinitroquinolin-8-yl)sulfanylethanol
CID 2827611
dichloropalladium;5-nitro-1,10-phenanthroline
CID 5030888
7-bromo-5-nitroquinolin-8-ol
CID 14125599
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide
CID 24578657
1-(3,4-dichlorophenyl)-3-(5,7-dinitroquinolin-8-yl)urea
CID 5213330
3-(2-chloro-6-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136865799
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide
CID 17383276

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-5-nitroquinolin-8-yl)oxy-N'-hydroxyethanimidamide?
The IUPAC name of 2-(7-chloro-5-nitroquinolin-8-yl)oxy-N'-hydroxyethanimidamide (CID 127261064) is 2-(7-chloro-5-nitroquinolin-8-yl)oxy-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(7-chloro-5-nitroquinolin-8-yl)oxy-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(7-chloro-5-nitroquinolin-8-yl)oxy-N'-hydroxyethanimidamide is N/C(COc1c(Cl)cc([N+](=O)[O-])c2cccnc12)=N\O.
What is the InChIKey of 2-(7-chloro-5-nitroquinolin-8-yl)oxy-N'-hydroxyethanimidamide?
The InChIKey is MDDUSBWFHHCDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O4/c12-7-4-8(16(18)19)6-2-1-3-14-10(6)11(7)20-5-9(13)15-17/h1-4,17H,5H2,(H2,13,15).
What are the key properties of 2-(7-chloro-5-nitroquinolin-8-yl)oxy-N'-hydroxyethanimidamide?
2-(7-chloro-5-nitroquinolin-8-yl)oxy-N'-hydroxyethanimidamide has a molecular weight of 296.67 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-5-nitroquinolin-8-yl)oxy-N'-hydroxyethanimidamide is sourced from PubChem (CID 127261064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).