[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

C32H36N2O6 — CID 98409088

IUPAC[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
SMILESCOc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc(OC)c1OC
InChIInChI=1S/C32H36N2O6/c1-19-9-8-10-20(2)34(19)28(35)18-40-32(36)29-23-11-6-7-12-25(23)33-30-22(13-14-24(29)30)15-21-16-26(37-3)31(39-5)27(17-21)38-4/h6-7,11-12,15-17,19-20H,8-10,13-14,18H2,1-5H3/b22-15-/t19-,20+
InChIKeyREYZZCDPIXPJJQ-MTLPOGOCSA-N
MW544.65 g/mol
LogP5.69
Rot. Bonds7

About [2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate (PubChem CID 98409088) has the molecular formula C32H36N2O6 and a molecular weight of 544.65 g/mol. Its IUPAC name is [2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

Compound Name[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
PubChem CID98409088
Molecular FormulaC32H36N2O6
Molecular Weight544.65 g/mol
Exact Mass544.26
IUPAC Name[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
SMILESCOc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc(OC)c1OC
InChIInChI=1S/C32H36N2O6/c1-19-9-8-10-20(2)34(19)28(35)18-40-32(36)29-23-11-6-7-12-25(23)33-30-22(13-14-24(29)30)15-21-16-26(37-3)31(39-5)27(17-21)38-4/h6-7,11-12,15-17,19-20H,8-10,13-14,18H2,1-5H3/b22-15-/t19-,20+
InChIKeyREYZZCDPIXPJJQ-MTLPOGOCSA-N
XLogP5.69
TPSA87.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.65
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 75409473
[2-(methylamino)-2-oxoethyl] 3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 5162877
(2-amino-2-oxoethyl) 4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 5157938
[2-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 71953650
[2-(dimethylamino)-2-oxoethyl] (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 16538021
(2-oxo-2-piperidin-1-ylethyl) (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 6520004
(5-acetyl-2-methoxyphenyl)methyl (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 75409468
(2-morpholin-4-yl-2-oxoethyl) (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 16533363
[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 98409100
[2-(cyclopropylamino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 6018077
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 3943752
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 84582762

Frequently Asked Questions

What is the IUPAC name of [2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?
The IUPAC name of [2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate (CID 98409088) is [2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate.
What is the SMILES notation for [2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?
The canonical SMILES for [2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is COc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc(OC)c1OC.
What is the InChIKey of [2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?
The InChIKey is REYZZCDPIXPJJQ-MTLPOGOCSA-N. The full InChI is InChI=1S/C32H36N2O6/c1-19-9-8-10-20(2)34(19)28(35)18-40-32(36)29-23-11-6-7-12-25(23)33-30-22(13-14-24(29)30)15-21-16-26(37-3)31(39-5)27(17-21)38-4/h6-7,11-12,15-17,19-20H,8-10,13-14,18H2,1-5H3/b22-15-/t19-,20+.
What are the key properties of [2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?
[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate has a molecular weight of 544.65 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 98409088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).