ethyl 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate

C15H19N3O2 — CID 62252346

IUPACethyl 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C(C)C)cccc2c1NN
InChIInChI=1S/C15H19N3O2/c1-4-20-15(19)12-8-17-13-10(9(2)3)6-5-7-11(13)14(12)18-16/h5-9H,4,16H2,1-3H3,(H,17,18)
InChIKeyOBLVIJADLSUBAS-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.82
Rot. Bonds4

About ethyl 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate

ethyl 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate (PubChem CID 62252346) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate
PubChem CID62252346
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C(C)C)cccc2c1NN
InChIInChI=1S/C15H19N3O2/c1-4-20-15(19)12-8-17-13-10(9(2)3)6-5-7-11(13)14(12)18-16/h5-9H,4,16H2,1-3H3,(H,17,18)
InChIKeyOBLVIJADLSUBAS-UHFFFAOYSA-N
XLogP2.82
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate (CID 62252346) is ethyl 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(C(C)C)cccc2c1NN.
What is the InChIKey of ethyl 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate?
The InChIKey is OBLVIJADLSUBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-20-15(19)12-8-17-13-10(9(2)3)6-5-7-11(13)14(12)18-16/h5-9H,4,16H2,1-3H3,(H,17,18).
What are the key properties of ethyl 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate?
ethyl 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate is sourced from PubChem (CID 62252346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).