ethyl 4-[2-(quinolin-2-ylamino)ethylamino]piperidine-1-carboxylate

C19H26N4O2 — CID 75380831

IUPACethyl 4-[2-(quinolin-2-ylamino)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCNc2ccc3ccccc3n2)CC1
InChIInChI=1S/C19H26N4O2/c1-2-25-19(24)23-13-9-16(10-14-23)20-11-12-21-18-8-7-15-5-3-4-6-17(15)22-18/h3-8,16,20H,2,9-14H2,1H3,(H,21,22)
InChIKeyGYPVFYDQAQIROO-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.86
Rot. Bonds6

About ethyl 4-[2-(quinolin-2-ylamino)ethylamino]piperidine-1-carboxylate

ethyl 4-[2-(quinolin-2-ylamino)ethylamino]piperidine-1-carboxylate (PubChem CID 75380831) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is ethyl 4-[2-(quinolin-2-ylamino)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(quinolin-2-ylamino)ethylamino]piperidine-1-carboxylate
PubChem CID75380831
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Nameethyl 4-[2-(quinolin-2-ylamino)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCNc2ccc3ccccc3n2)CC1
InChIInChI=1S/C19H26N4O2/c1-2-25-19(24)23-13-9-16(10-14-23)20-11-12-21-18-8-7-15-5-3-4-6-17(15)22-18/h3-8,16,20H,2,9-14H2,1H3,(H,21,22)
InChIKeyGYPVFYDQAQIROO-UHFFFAOYSA-N
XLogP2.86
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(quinolin-2-ylamino)ethylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(quinolin-2-ylamino)ethylamino]piperidine-1-carboxylate (CID 75380831) is ethyl 4-[2-(quinolin-2-ylamino)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(quinolin-2-ylamino)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(quinolin-2-ylamino)ethylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCNc2ccc3ccccc3n2)CC1.
What is the InChIKey of ethyl 4-[2-(quinolin-2-ylamino)ethylamino]piperidine-1-carboxylate?
The InChIKey is GYPVFYDQAQIROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-25-19(24)23-13-9-16(10-14-23)20-11-12-21-18-8-7-15-5-3-4-6-17(15)22-18/h3-8,16,20H,2,9-14H2,1H3,(H,21,22).
What are the key properties of ethyl 4-[2-(quinolin-2-ylamino)ethylamino]piperidine-1-carboxylate?
ethyl 4-[2-(quinolin-2-ylamino)ethylamino]piperidine-1-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(quinolin-2-ylamino)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 75380831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).