hydrazinyl 3-(2,5-dichloro-7-iodoquinolin-8-yl)oxypropanoate

C12H10Cl2IN3O3 — CID 83172049

IUPAChydrazinyl 3-(2,5-dichloro-7-iodoquinolin-8-yl)oxypropanoate
SMILESNNOC(=O)CCOc1c(I)cc(Cl)c2ccc(Cl)nc12
InChIInChI=1S/C12H10Cl2IN3O3/c13-7-5-8(15)12(20-4-3-10(19)21-18-16)11-6(7)1-2-9(14)17-11/h1-2,5,18H,3-4,16H2
InChIKeyXHZMKXUACJMOIO-UHFFFAOYSA-N
MW442.04 g/mol
LogP2.84
Rot. Bonds5

About hydrazinyl 3-(2,5-dichloro-7-iodoquinolin-8-yl)oxypropanoate

hydrazinyl 3-(2,5-dichloro-7-iodoquinolin-8-yl)oxypropanoate (PubChem CID 83172049) has the molecular formula C12H10Cl2IN3O3 and a molecular weight of 442.04 g/mol. Its IUPAC name is hydrazinyl 3-(2,5-dichloro-7-iodoquinolin-8-yl)oxypropanoate.

Molecular Properties

Compound Namehydrazinyl 3-(2,5-dichloro-7-iodoquinolin-8-yl)oxypropanoate
PubChem CID83172049
Molecular FormulaC12H10Cl2IN3O3
Molecular Weight442.04 g/mol
Exact Mass440.91
IUPAC Namehydrazinyl 3-(2,5-dichloro-7-iodoquinolin-8-yl)oxypropanoate
SMILESNNOC(=O)CCOc1c(I)cc(Cl)c2ccc(Cl)nc12
InChIInChI=1S/C12H10Cl2IN3O3/c13-7-5-8(15)12(20-4-3-10(19)21-18-16)11-6(7)1-2-9(14)17-11/h1-2,5,18H,3-4,16H2
InChIKeyXHZMKXUACJMOIO-UHFFFAOYSA-N
XLogP2.84
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.04
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

ethyl 3-(2,5-dichloro-7-iodoquinolin-8-yl)oxypropanoate
CID 83172289
6-(2,5-dichloro-7-iodoquinolin-8-yl)oxyhexan-2-one
CID 83171643
ethyl 2-(2,5-dichloro-7-iodoquinolin-8-yl)oxyacetate
CID 83223938
methyl 3-(5,7-dibromo-2-chloroquinolin-8-yl)oxypropanoate
CID 83224029
4-(2,5-dichloro-7-iodoquinolin-8-yl)oxypentan-2-one
CID 83224588
4-(5,7-dibromo-2-chloroquinolin-8-yl)oxybutan-2-one
CID 83223673
butyl 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
CID 63416672
ethyl 3-(2,4,6-triiodophenoxy)propanoate
CID 43174164
4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal
CID 71517386
6-(5,7-dichloro-2-methylquinolin-8-yl)oxyhexan-2-one
CID 62033445
hydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate
CID 66337477
hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate
CID 107726871

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(2,5-dichloro-7-iodoquinolin-8-yl)oxypropanoate?
The IUPAC name of hydrazinyl 3-(2,5-dichloro-7-iodoquinolin-8-yl)oxypropanoate (CID 83172049) is hydrazinyl 3-(2,5-dichloro-7-iodoquinolin-8-yl)oxypropanoate.
What is the SMILES notation for hydrazinyl 3-(2,5-dichloro-7-iodoquinolin-8-yl)oxypropanoate?
The canonical SMILES for hydrazinyl 3-(2,5-dichloro-7-iodoquinolin-8-yl)oxypropanoate is NNOC(=O)CCOc1c(I)cc(Cl)c2ccc(Cl)nc12.
What is the InChIKey of hydrazinyl 3-(2,5-dichloro-7-iodoquinolin-8-yl)oxypropanoate?
The InChIKey is XHZMKXUACJMOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2IN3O3/c13-7-5-8(15)12(20-4-3-10(19)21-18-16)11-6(7)1-2-9(14)17-11/h1-2,5,18H,3-4,16H2.
What are the key properties of hydrazinyl 3-(2,5-dichloro-7-iodoquinolin-8-yl)oxypropanoate?
hydrazinyl 3-(2,5-dichloro-7-iodoquinolin-8-yl)oxypropanoate has a molecular weight of 442.04 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(2,5-dichloro-7-iodoquinolin-8-yl)oxypropanoate is sourced from PubChem (CID 83172049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).