ethyl (2Z)-1,7-diamino-2-hydrazinylidenequinoline-3-carboxylate

C12H15N5O2 — CID 143027101

IUPACethyl (2Z)-1,7-diamino-2-hydrazinylidenequinoline-3-carboxylate
SMILESCCOC(=O)c1cc2ccc(N)cc2n(N)/c1=N\N
InChIInChI=1S/C12H15N5O2/c1-2-19-12(18)9-5-7-3-4-8(13)6-10(7)17(15)11(9)16-14/h3-6H,2,13-15H2,1H3/b16-11-
InChIKeyQOUDRKFDEXESFO-WJDWOHSUSA-N
MW261.29 g/mol
LogP-0.11
Rot. Bonds2

About ethyl (2Z)-1,7-diamino-2-hydrazinylidenequinoline-3-carboxylate

ethyl (2Z)-1,7-diamino-2-hydrazinylidenequinoline-3-carboxylate (PubChem CID 143027101) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is ethyl (2Z)-1,7-diamino-2-hydrazinylidenequinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl (2Z)-1,7-diamino-2-hydrazinylidenequinoline-3-carboxylate
PubChem CID143027101
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Nameethyl (2Z)-1,7-diamino-2-hydrazinylidenequinoline-3-carboxylate
SMILESCCOC(=O)c1cc2ccc(N)cc2n(N)/c1=N\N
InChIInChI=1S/C12H15N5O2/c1-2-19-12(18)9-5-7-3-4-8(13)6-10(7)17(15)11(9)16-14/h3-6H,2,13-15H2,1H3/b16-11-
InChIKeyQOUDRKFDEXESFO-WJDWOHSUSA-N
XLogP-0.11
TPSA121.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
ethyl 2-acetyl-4-aminobenzoate
CID 70477143
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
(2Z)-1,7-diamino-6-fluoro-2-hydrazinylidenequinoline-3-carboxylic acid;ethyl 6-methyltetrazolo[1,5-a]quinoline-4-carboxylate;propane
CID 143155964
ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 5-amino-2-(ethylamino)benzoate
CID 61313445
ethyl 2-acetyloxy-4-aminobenzoate
CID 90384758
ethyl 4-(6-aminoindazol-1-yl)-5-methyl-3-(methyliminomethyl)pyrrolo[1,2-b]pyridazine-6-carboxylate
CID 143026198
ethyl 4,5-diamino-2-methylbenzoate
CID 171024820
ethyl 6-amino-3-fluoro-1-methylindole-2-carboxylate
CID 83853717
diethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate
CID 167528912
ethyl 5-amino-2-(2-chloropropanoyl)benzoate
CID 134644200

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-1,7-diamino-2-hydrazinylidenequinoline-3-carboxylate?
The IUPAC name of ethyl (2Z)-1,7-diamino-2-hydrazinylidenequinoline-3-carboxylate (CID 143027101) is ethyl (2Z)-1,7-diamino-2-hydrazinylidenequinoline-3-carboxylate.
What is the SMILES notation for ethyl (2Z)-1,7-diamino-2-hydrazinylidenequinoline-3-carboxylate?
The canonical SMILES for ethyl (2Z)-1,7-diamino-2-hydrazinylidenequinoline-3-carboxylate is CCOC(=O)c1cc2ccc(N)cc2n(N)/c1=N\N.
What is the InChIKey of ethyl (2Z)-1,7-diamino-2-hydrazinylidenequinoline-3-carboxylate?
The InChIKey is QOUDRKFDEXESFO-WJDWOHSUSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-2-19-12(18)9-5-7-3-4-8(13)6-10(7)17(15)11(9)16-14/h3-6H,2,13-15H2,1H3/b16-11-.
What are the key properties of ethyl (2Z)-1,7-diamino-2-hydrazinylidenequinoline-3-carboxylate?
ethyl (2Z)-1,7-diamino-2-hydrazinylidenequinoline-3-carboxylate has a molecular weight of 261.29 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-1,7-diamino-2-hydrazinylidenequinoline-3-carboxylate is sourced from PubChem (CID 143027101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).