ethyl 1-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate

C26H28N2O4 — CID 3382735

IUPACethyl 1-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(-c3ccc(OCC)cc3)nc3ccccc23)C1
InChIInChI=1S/C26H28N2O4/c1-3-31-20-13-11-18(12-14-20)24-16-22(21-9-5-6-10-23(21)27-24)25(29)28-15-7-8-19(17-28)26(30)32-4-2/h5-6,9-14,16,19H,3-4,7-8,15,17H2,1-2H3
InChIKeyVBZOXRREJFYUDY-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.72
Rot. Bonds6

About ethyl 1-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate

ethyl 1-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate (PubChem CID 3382735) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is ethyl 1-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate
PubChem CID3382735
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Nameethyl 1-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(-c3ccc(OCC)cc3)nc3ccccc23)C1
InChIInChI=1S/C26H28N2O4/c1-3-31-20-13-11-18(12-14-20)24-16-22(21-9-5-6-10-23(21)27-24)25(29)28-15-7-8-19(17-28)26(30)32-4-2/h5-6,9-14,16,19H,3-4,7-8,15,17H2,1-2H3
InChIKeyVBZOXRREJFYUDY-UHFFFAOYSA-N
XLogP4.72
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate (CID 3382735) is ethyl 1-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cc(-c3ccc(OCC)cc3)nc3ccccc23)C1.
What is the InChIKey of ethyl 1-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate?
The InChIKey is VBZOXRREJFYUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-3-31-20-13-11-18(12-14-20)24-16-22(21-9-5-6-10-23(21)27-24)25(29)28-15-7-8-19(17-28)26(30)32-4-2/h5-6,9-14,16,19H,3-4,7-8,15,17H2,1-2H3.
What are the key properties of ethyl 1-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate?
ethyl 1-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate has a molecular weight of 432.52 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 3382735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).