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

C11H9ClIN3O2 — CID 71319984

IUPAC2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide
SMILESNC(COc1c(I)cc(Cl)c2cccnc12)=NO
InChIInChI=1S/C11H9ClIN3O2/c12-7-4-8(13)11(18-5-9(14)16-17)10-6(7)2-1-3-15-10/h1-4,17H,5H2,(H2,14,16)
InChIKeyLLBVSTNQNRNQDM-UHFFFAOYSA-N
MW377.57 g/mol
LogP2.62
Rot. Bonds3

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

2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide (PubChem CID 71319984) has the molecular formula C11H9ClIN3O2 and a molecular weight of 377.57 g/mol. Its IUPAC name is 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide
PubChem CID71319984
Molecular FormulaC11H9ClIN3O2
Molecular Weight377.57 g/mol
Exact Mass376.94
IUPAC Name2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide
SMILESNC(COc1c(I)cc(Cl)c2cccnc12)=NO
InChIInChI=1S/C11H9ClIN3O2/c12-7-4-8(13)11(18-5-9(14)16-17)10-6(7)2-1-3-15-10/h1-4,17H,5H2,(H2,14,16)
InChIKeyLLBVSTNQNRNQDM-UHFFFAOYSA-N
XLogP2.62
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

2-(7-chloro-5-nitroquinolin-8-yl)oxy-N'-hydroxyethanimidamide
CID 127261064
1-(5-chloro-7-iodoquinolin-8-yl)oxy-3,3-dimethylbutan-2-one
CID 24578624
butyl 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
CID 63416672
zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)
CID 10462414
[2-(2-fluorophenyl)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
CID 29343696
4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal
CID 71517386
2-(5-chloro-7-iodoquinolin-8-yl)oxy-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 24623003
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide
CID 24578687
ethyl 2-(5-chloro-7-iodoquinolin-8-yl)oxy-2-fluoroacetate
CID 79356762
[2-(butan-2-ylamino)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
CID 42971775
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide
CID 24578666
bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)
CID 25009413

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide?
The IUPAC name of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide (CID 71319984) is 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide is NC(COc1c(I)cc(Cl)c2cccnc12)=NO.
What is the InChIKey of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide?
The InChIKey is LLBVSTNQNRNQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClIN3O2/c12-7-4-8(13)11(18-5-9(14)16-17)10-6(7)2-1-3-15-10/h1-4,17H,5H2,(H2,14,16).
What are the key properties of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide?
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide has a molecular weight of 377.57 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide is sourced from PubChem (CID 71319984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).