[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate

C28H26N4O3 — CID 23736786

IUPAC[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc12)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C28H26N4O3/c33-27(30-20-11-13-21(14-12-20)32-16-6-1-7-17-32)19-35-28(34)23-18-26(25-10-4-5-15-29-25)31-24-9-3-2-8-22(23)24/h2-5,8-15,18H,1,6-7,16-17,19H2,(H,30,33)
InChIKeyCDNDSUJQGCBYOF-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.08
Rot. Bonds6

About [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate

[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate (PubChem CID 23736786) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate
PubChem CID23736786
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc12)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C28H26N4O3/c33-27(30-20-11-13-21(14-12-20)32-16-6-1-7-17-32)19-35-28(34)23-18-26(25-10-4-5-15-29-25)31-24-9-3-2-8-22(23)24/h2-5,8-15,18H,1,6-7,16-17,19H2,(H,30,33)
InChIKeyCDNDSUJQGCBYOF-UHFFFAOYSA-N
XLogP5.08
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 2358673
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2121133
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 2-chloropyridine-3-carboxylate
CID 26745917
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 23792843
2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate
CID 54142330
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate
CID 23826857
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dihydroxybenzoate
CID 7870792
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 17419831
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-hydroxybenzoate
CID 7378641
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7594118
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dichlorobenzoate
CID 7857974

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate (CID 23736786) is [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate is O=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc12)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate?
The InChIKey is CDNDSUJQGCBYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c33-27(30-20-11-13-21(14-12-20)32-16-6-1-7-17-32)19-35-28(34)23-18-26(25-10-4-5-15-29-25)31-24-9-3-2-8-22(23)24/h2-5,8-15,18H,1,6-7,16-17,19H2,(H,30,33).
What are the key properties of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate?
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate has a molecular weight of 466.54 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 23736786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).