[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate

C26H26N2O6 — CID 25163697

IUPAC[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccc(OC)cc23)CC1
InChIInChI=1S/C26H26N2O6/c1-32-19-8-9-22-20(14-19)21(15-23(27-22)17-6-4-3-5-7-17)26(31)34-16-24(29)28-12-10-18(11-13-28)25(30)33-2/h3-9,14-15,18H,10-13,16H2,1-2H3
InChIKeyGNSYFQJCCMQOPQ-UHFFFAOYSA-N
MW462.50 g/mol
LogP3.48
Rot. Bonds6

About [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate

[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate (PubChem CID 25163697) has the molecular formula C26H26N2O6 and a molecular weight of 462.50 g/mol. Its IUPAC name is [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate
PubChem CID25163697
Molecular FormulaC26H26N2O6
Molecular Weight462.50 g/mol
Exact Mass462.18
IUPAC Name[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccc(OC)cc23)CC1
InChIInChI=1S/C26H26N2O6/c1-32-19-8-9-22-20(14-19)21(15-23(27-22)17-6-4-3-5-7-17)26(31)34-16-24(29)28-12-10-18(11-13-28)25(30)33-2/h3-9,14-15,18H,10-13,16H2,1-2H3
InChIKeyGNSYFQJCCMQOPQ-UHFFFAOYSA-N
XLogP3.48
TPSA95.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate with MolForge

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Related Compounds

[2-(azepan-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2479385
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 7395353
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate
CID 7132339
methyl 1-[2-(1,4-dihydroxynaphthalene-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 7228482
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135397
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate
CID 7132372
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 23936357
methyl 1-[2-(4-phenylmethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 7264067
(2-morpholin-4-yl-2-oxoethyl) 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3501639
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 23937440
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 3591091
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780547

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate?
The IUPAC name of [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate (CID 25163697) is [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate.
What is the SMILES notation for [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate?
The canonical SMILES for [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate is COC(=O)C1CCN(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccc(OC)cc23)CC1.
What is the InChIKey of [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate?
The InChIKey is GNSYFQJCCMQOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O6/c1-32-19-8-9-22-20(14-19)21(15-23(27-22)17-6-4-3-5-7-17)26(31)34-16-24(29)28-12-10-18(11-13-28)25(30)33-2/h3-9,14-15,18H,10-13,16H2,1-2H3.
What are the key properties of [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate?
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate has a molecular weight of 462.50 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 25163697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).