[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

C28H32N2O6 — CID 55314439

IUPAC[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
SMILESCOc1cc(-c2cc(C(=O)OC(C)C(=O)N3CCC(C)CC3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C28H32N2O6/c1-17-10-12-30(13-11-17)27(31)18(2)36-28(32)21-16-23(29-22-9-7-6-8-20(21)22)19-14-24(33-3)26(35-5)25(15-19)34-4/h6-9,14-18H,10-13H2,1-5H3
InChIKeyKTURVKKONJVNPR-UHFFFAOYSA-N
MW492.57 g/mol
LogP4.73
Rot. Bonds7

About [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate (PubChem CID 55314439) has the molecular formula C28H32N2O6 and a molecular weight of 492.57 g/mol. Its IUPAC name is [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
PubChem CID55314439
Molecular FormulaC28H32N2O6
Molecular Weight492.57 g/mol
Exact Mass492.23
IUPAC Name[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
SMILESCOc1cc(-c2cc(C(=O)OC(C)C(=O)N3CCC(C)CC3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C28H32N2O6/c1-17-10-12-30(13-11-17)27(31)18(2)36-28(32)21-16-23(29-22-9-7-6-8-20(21)22)19-14-24(33-3)26(35-5)25(15-19)34-4/h6-9,14-18H,10-13H2,1-5H3
InChIKeyKTURVKKONJVNPR-UHFFFAOYSA-N
XLogP4.73
TPSA87.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate with MolForge

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Related Compounds

[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395388
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2347243
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 30340313
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate
CID 30339243
[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 7866923
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 16528643
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate
CID 8944516
N-methyl-1-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
CID 55469276
[(2R)-1-amino-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 7417732
N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 29198652
2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 32773013
benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2366983

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate (CID 55314439) is [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate is COc1cc(-c2cc(C(=O)OC(C)C(=O)N3CCC(C)CC3)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate?
The InChIKey is KTURVKKONJVNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O6/c1-17-10-12-30(13-11-17)27(31)18(2)36-28(32)21-16-23(29-22-9-7-6-8-20(21)22)19-14-24(33-3)26(35-5)25(15-19)34-4/h6-9,14-18H,10-13H2,1-5H3.
What are the key properties of [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate?
[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate has a molecular weight of 492.57 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 55314439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).