[2-(dimethylamino)-2-oxoethyl] (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

C28H30N2O6 — CID 16538021

IUPAC[2-(dimethylamino)-2-oxoethyl] (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
SMILESCOc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)OCC(=O)N(C)C)cc(OC)c1OC
InChIInChI=1S/C28H30N2O6/c1-30(2)24(31)16-36-28(32)25-19-10-6-7-12-21(19)29-26-18(9-8-11-20(25)26)13-17-14-22(33-3)27(35-5)23(15-17)34-4/h6-7,10,12-15H,8-9,11,16H2,1-5H3/b18-13+
InChIKeyOQLBKIGXVIXIAX-QGOAFFKASA-N
MW490.56 g/mol
LogP4.38
Rot. Bonds7

About [2-(dimethylamino)-2-oxoethyl] (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

[2-(dimethylamino)-2-oxoethyl] (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 16538021) has the molecular formula C28H30N2O6 and a molecular weight of 490.56 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
PubChem CID16538021
Molecular FormulaC28H30N2O6
Molecular Weight490.56 g/mol
Exact Mass490.21
IUPAC Name[2-(dimethylamino)-2-oxoethyl] (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
SMILESCOc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)OCC(=O)N(C)C)cc(OC)c1OC
InChIInChI=1S/C28H30N2O6/c1-30(2)24(31)16-36-28(32)25-19-10-6-7-12-21(19)29-26-18(9-8-11-20(25)26)13-17-14-22(33-3)27(35-5)23(15-17)34-4/h6-7,10,12-15H,8-9,11,16H2,1-5H3/b18-13+
InChIKeyOQLBKIGXVIXIAX-QGOAFFKASA-N
XLogP4.38
TPSA87.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-amino-2-oxoethyl) 4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 5157938
[2-(methylamino)-2-oxoethyl] 3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 5162877
[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-[(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
[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-(cyclopropylamino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 6018077
cyanomethyl (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 6535732
(5-acetyl-2-methoxyphenyl)methyl (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 75409468
[2-(ethylamino)-2-oxoethyl] (4E)-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 6213329
(2-oxo-2-piperidin-1-ylethyl) (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 6520004
(4E)-4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 135591214
[2-(N-methylanilino)-2-oxoethyl] 3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 5167401

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate (CID 16538021) is [2-(dimethylamino)-2-oxoethyl] (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is COc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)OCC(=O)N(C)C)cc(OC)c1OC.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
The InChIKey is OQLBKIGXVIXIAX-QGOAFFKASA-N. The full InChI is InChI=1S/C28H30N2O6/c1-30(2)24(31)16-36-28(32)25-19-10-6-7-12-21(19)29-26-18(9-8-11-20(25)26)13-17-14-22(33-3)27(35-5)23(15-17)34-4/h6-7,10,12-15H,8-9,11,16H2,1-5H3/b18-13+.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
[2-(dimethylamino)-2-oxoethyl] (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate has a molecular weight of 490.56 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 16538021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).