ethyl 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate

C24H24N2O3 — CID 3253441

IUPACethyl 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C24H24N2O3/c1-2-29-24(28)18-11-8-14-26(16-18)23(27)20-15-22(17-9-4-3-5-10-17)25-21-13-7-6-12-19(20)21/h3-7,9-10,12-13,15,18H,2,8,11,14,16H2,1H3
InChIKeyCFFXEJKBQKFPQA-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.32
Rot. Bonds4

About ethyl 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate

ethyl 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate (PubChem CID 3253441) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is ethyl 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate
PubChem CID3253441
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Nameethyl 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C24H24N2O3/c1-2-29-24(28)18-11-8-14-26(16-18)23(27)20-15-22(17-9-4-3-5-10-17)25-21-13-7-6-12-19(20)21/h3-7,9-10,12-13,15,18H,2,8,11,14,16H2,1H3
InChIKeyCFFXEJKBQKFPQA-UHFFFAOYSA-N
XLogP4.32
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate (CID 3253441) is ethyl 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1.
What is the InChIKey of ethyl 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is CFFXEJKBQKFPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-2-29-24(28)18-11-8-14-26(16-18)23(27)20-15-22(17-9-4-3-5-10-17)25-21-13-7-6-12-19(20)21/h3-7,9-10,12-13,15,18H,2,8,11,14,16H2,1H3.
What are the key properties of ethyl 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate?
ethyl 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 3253441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).