ethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate

C12H12IN3O2 — CID 62250848

IUPACethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(I)cccc2c1NN
InChIInChI=1S/C12H12IN3O2/c1-2-18-12(17)8-6-15-11-7(10(8)16-14)4-3-5-9(11)13/h3-6H,2,14H2,1H3,(H,15,16)
InChIKeyHKKAUZKVURQGIO-UHFFFAOYSA-N
MW357.15 g/mol
LogP2.30
Rot. Bonds3

About ethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate

ethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate (PubChem CID 62250848) has the molecular formula C12H12IN3O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is ethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate
PubChem CID62250848
Molecular FormulaC12H12IN3O2
Molecular Weight357.15 g/mol
Exact Mass357.00
IUPAC Nameethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(I)cccc2c1NN
InChIInChI=1S/C12H12IN3O2/c1-2-18-12(17)8-6-15-11-7(10(8)16-14)4-3-5-9(11)13/h3-6H,2,14H2,1H3,(H,15,16)
InChIKeyHKKAUZKVURQGIO-UHFFFAOYSA-N
XLogP2.30
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate
CID 62252346
ethyl 4-chloro-8-iodoquinoline-3-carboxylate
CID 11792955
ethyl 7-fluoro-4-hydrazinyl-8-iodoquinoline-3-carboxylate
CID 114261072
ethyl 4-hydrazinyl-5,8-dimethylquinoline-3-carboxylate
CID 62250481
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethyl 8-cyano-4-(methylamino)quinoline-3-carboxylate
CID 53264523
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate
CID 708704
ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
CID 709130
ethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate
CID 10066474
ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
CID 1181324
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate
CID 23733695

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate?
The IUPAC name of ethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate (CID 62250848) is ethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate is CCOC(=O)c1cnc2c(I)cccc2c1NN.
What is the InChIKey of ethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate?
The InChIKey is HKKAUZKVURQGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3O2/c1-2-18-12(17)8-6-15-11-7(10(8)16-14)4-3-5-9(11)13/h3-6H,2,14H2,1H3,(H,15,16).
What are the key properties of ethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate?
ethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate has a molecular weight of 357.15 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate is sourced from PubChem (CID 62250848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).