2-(5-iodoquinolin-8-yl)oxyacetohydrazide

C11H10IN3O2 — CID 100613197

IUPAC2-(5-iodoquinolin-8-yl)oxyacetohydrazide
SMILESNNC(=O)COc1ccc(I)c2cccnc12
InChIInChI=1S/C11H10IN3O2/c12-8-3-4-9(17-6-10(16)15-13)11-7(8)2-1-5-14-11/h1-5H,6,13H2,(H,15,16)
InChIKeyHKXRMHPTUCRJKB-UHFFFAOYSA-N
MW343.12 g/mol
LogP1.21
Rot. Bonds3

About 2-(5-iodoquinolin-8-yl)oxyacetohydrazide

2-(5-iodoquinolin-8-yl)oxyacetohydrazide (PubChem CID 100613197) has the molecular formula C11H10IN3O2 and a molecular weight of 343.12 g/mol. Its IUPAC name is 2-(5-iodoquinolin-8-yl)oxyacetohydrazide.

Molecular Properties

Compound Name2-(5-iodoquinolin-8-yl)oxyacetohydrazide
PubChem CID100613197
Molecular FormulaC11H10IN3O2
Molecular Weight343.12 g/mol
Exact Mass342.98
IUPAC Name2-(5-iodoquinolin-8-yl)oxyacetohydrazide
SMILESNNC(=O)COc1ccc(I)c2cccnc12
InChIInChI=1S/C11H10IN3O2/c12-8-3-4-9(17-6-10(16)15-13)11-7(8)2-1-5-14-11/h1-5H,6,13H2,(H,15,16)
InChIKeyHKXRMHPTUCRJKB-UHFFFAOYSA-N
XLogP1.21
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.12
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-iodoquinolin-8-yl)oxyacetonitrile
CID 71320001
8-ethoxyquinoline-5-carbohydrazide
CID 84613958
2-(5-aminoquinolin-8-yl)oxy-N-(3-methylbutan-2-yl)acetamide
CID 61489515
2-[4-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]phenoxy]acetamide
CID 55828463
N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide
CID 55602763
2-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]acetohydrazide
CID 90001947
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide
CID 3865457
2-(5-chloroquinolin-8-yl)oxy-N-(2,6-dimethylphenyl)acetamide
CID 8716363
N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 47104754
2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide
CID 23935853
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide
CID 119505408

Frequently Asked Questions

What is the IUPAC name of 2-(5-iodoquinolin-8-yl)oxyacetohydrazide?
The IUPAC name of 2-(5-iodoquinolin-8-yl)oxyacetohydrazide (CID 100613197) is 2-(5-iodoquinolin-8-yl)oxyacetohydrazide.
What is the SMILES notation for 2-(5-iodoquinolin-8-yl)oxyacetohydrazide?
The canonical SMILES for 2-(5-iodoquinolin-8-yl)oxyacetohydrazide is NNC(=O)COc1ccc(I)c2cccnc12.
What is the InChIKey of 2-(5-iodoquinolin-8-yl)oxyacetohydrazide?
The InChIKey is HKXRMHPTUCRJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O2/c12-8-3-4-9(17-6-10(16)15-13)11-7(8)2-1-5-14-11/h1-5H,6,13H2,(H,15,16).
What are the key properties of 2-(5-iodoquinolin-8-yl)oxyacetohydrazide?
2-(5-iodoquinolin-8-yl)oxyacetohydrazide has a molecular weight of 343.12 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodoquinolin-8-yl)oxyacetohydrazide is sourced from PubChem (CID 100613197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).