ethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate

C13H14ClN3O3 — CID 107623171

IUPACethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OC)c(Cl)cc2c1NN
InChIInChI=1S/C13H14ClN3O3/c1-3-20-13(18)8-6-16-10-5-11(19-2)9(14)4-7(10)12(8)17-15/h4-6H,3,15H2,1-2H3,(H,16,17)
InChIKeyHYKXXKPMHZYQNG-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.36
Rot. Bonds4

About ethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate

ethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate (PubChem CID 107623171) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is ethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate
PubChem CID107623171
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Nameethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OC)c(Cl)cc2c1NN
InChIInChI=1S/C13H14ClN3O3/c1-3-20-13(18)8-6-16-10-5-11(19-2)9(14)4-7(10)12(8)17-15/h4-6H,3,15H2,1-2H3,(H,16,17)
InChIKeyHYKXXKPMHZYQNG-UHFFFAOYSA-N
XLogP2.36
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 54773034
ethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 22333896
ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate
CID 54772978
ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate
CID 22136427
ethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 151694094
ethyl 4-(4-chloro-2-methoxy-5-methylanilino)-7-(trifluoromethyl)quinoline-3-carboxylate
CID 15992869
ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 62191865
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
ethyl 8-methoxy-6-methyl-4-(methylamino)quinoline-3-carboxylate
CID 54773049
ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate
CID 103996712
ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate
CID 135735505
3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate
CID 46397906

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate (CID 107623171) is ethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2cc(OC)c(Cl)cc2c1NN.
What is the InChIKey of ethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate?
The InChIKey is HYKXXKPMHZYQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-3-20-13(18)8-6-16-10-5-11(19-2)9(14)4-7(10)12(8)17-15/h4-6H,3,15H2,1-2H3,(H,16,17).
What are the key properties of ethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate?
ethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate has a molecular weight of 295.73 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 107623171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).