ethyl 7-fluoro-4-hydrazinyl-8-iodoquinoline-3-carboxylate

C12H11FIN3O2 — CID 114261072

IUPACethyl 7-fluoro-4-hydrazinyl-8-iodoquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(I)c(F)ccc2c1NN
InChIInChI=1S/C12H11FIN3O2/c1-2-19-12(18)7-5-16-11-6(10(7)17-15)3-4-8(13)9(11)14/h3-5H,2,15H2,1H3,(H,16,17)
InChIKeyWXKHFUQGAADBDB-UHFFFAOYSA-N
MW375.14 g/mol
LogP2.44
Rot. Bonds3

About ethyl 7-fluoro-4-hydrazinyl-8-iodoquinoline-3-carboxylate

ethyl 7-fluoro-4-hydrazinyl-8-iodoquinoline-3-carboxylate (PubChem CID 114261072) has the molecular formula C12H11FIN3O2 and a molecular weight of 375.14 g/mol. Its IUPAC name is ethyl 7-fluoro-4-hydrazinyl-8-iodoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-fluoro-4-hydrazinyl-8-iodoquinoline-3-carboxylate
PubChem CID114261072
Molecular FormulaC12H11FIN3O2
Molecular Weight375.14 g/mol
Exact Mass374.99
IUPAC Nameethyl 7-fluoro-4-hydrazinyl-8-iodoquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(I)c(F)ccc2c1NN
InChIInChI=1S/C12H11FIN3O2/c1-2-19-12(18)7-5-16-11-6(10(7)17-15)3-4-8(13)9(11)14/h3-5H,2,15H2,1H3,(H,16,17)
InChIKeyWXKHFUQGAADBDB-UHFFFAOYSA-N
XLogP2.44
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.14
LogP ≤ 52.44
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-iodoquinoline-3-carboxylate
CID 62250848
ethyl 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate
CID 62252346
ethyl 4-hydrazinyl-5,8-dimethylquinoline-3-carboxylate
CID 62250481
ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate
CID 63486784
ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate
CID 63486440
ethyl 6,8-dibromo-4-hydrazinyl-5-methoxyquinoline-3-carboxylate
CID 103416812
ethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
CID 2791596
ethyl 4-chloro-5,8-difluoroquinoline-3-carboxylate
CID 17040076
ethyl 5,6,8-trifluoro-4-(methylamino)quinoline-3-carboxylate
CID 62809200
ethyl 4-fluoro-6-iodopyridine-3-carboxylate
CID 131189599
ethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate
CID 107623171
ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride
CID 2789452

Frequently Asked Questions

What is the IUPAC name of ethyl 7-fluoro-4-hydrazinyl-8-iodoquinoline-3-carboxylate?
The IUPAC name of ethyl 7-fluoro-4-hydrazinyl-8-iodoquinoline-3-carboxylate (CID 114261072) is ethyl 7-fluoro-4-hydrazinyl-8-iodoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-fluoro-4-hydrazinyl-8-iodoquinoline-3-carboxylate?
The canonical SMILES for ethyl 7-fluoro-4-hydrazinyl-8-iodoquinoline-3-carboxylate is CCOC(=O)c1cnc2c(I)c(F)ccc2c1NN.
What is the InChIKey of ethyl 7-fluoro-4-hydrazinyl-8-iodoquinoline-3-carboxylate?
The InChIKey is WXKHFUQGAADBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FIN3O2/c1-2-19-12(18)7-5-16-11-6(10(7)17-15)3-4-8(13)9(11)14/h3-5H,2,15H2,1H3,(H,16,17).
What are the key properties of ethyl 7-fluoro-4-hydrazinyl-8-iodoquinoline-3-carboxylate?
ethyl 7-fluoro-4-hydrazinyl-8-iodoquinoline-3-carboxylate has a molecular weight of 375.14 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-fluoro-4-hydrazinyl-8-iodoquinoline-3-carboxylate is sourced from PubChem (CID 114261072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).