[2-(3-chloro-2-methylanilino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

C32H29ClN2O5 — CID 84582750

IUPAC[2-(3-chloro-2-methylanilino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
SMILESCOc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1OC
InChIInChI=1S/C32H29ClN2O5/c1-19-24(33)11-7-13-25(19)34-29(36)18-40-32(37)30-22-9-4-5-12-26(22)35-31-21(8-6-10-23(30)31)16-20-14-15-27(38-2)28(17-20)39-3/h4-5,7,9,11-17H,6,8,10,18H2,1-3H3,(H,34,36)/b21-16-
InChIKeyIDOPLGZLQDAZGE-PGMHBOJBSA-N
MW557.05 g/mol
LogP6.89
Rot. Bonds7

About [2-(3-chloro-2-methylanilino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

[2-(3-chloro-2-methylanilino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 84582750) has the molecular formula C32H29ClN2O5 and a molecular weight of 557.05 g/mol. Its IUPAC name is [2-(3-chloro-2-methylanilino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

Compound Name[2-(3-chloro-2-methylanilino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
PubChem CID84582750
Molecular FormulaC32H29ClN2O5
Molecular Weight557.05 g/mol
Exact Mass556.18
IUPAC Name[2-(3-chloro-2-methylanilino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
SMILESCOc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1OC
InChIInChI=1S/C32H29ClN2O5/c1-19-24(33)11-7-13-25(19)34-29(36)18-40-32(37)30-22-9-4-5-12-26(22)35-31-21(8-6-10-23(30)31)16-20-14-15-27(38-2)28(17-20)39-3/h4-5,7,9,11-17H,6,8,10,18H2,1-3H3,(H,34,36)/b21-16-
InChIKeyIDOPLGZLQDAZGE-PGMHBOJBSA-N
XLogP6.89
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.05
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(3-chloro-2-methylanilino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-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-(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
(2-amino-2-oxoethyl) 4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 5157938
(2-oxo-2-piperidin-1-ylethyl) (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 6520004
[2-(2,6-dimethylanilino)-2-oxoethyl] (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 15945273
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] (4E)-4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 6536423
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 84582762
[2-(ethylamino)-2-oxoethyl] (4E)-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 6213329
[2-(methylamino)-2-oxoethyl] (4E)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 8661946
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (4Z)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate
CID 98409585
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 6519898
[2-(dimethylamino)-2-oxoethyl] (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 16538021

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
The IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate (CID 84582750) is [2-(3-chloro-2-methylanilino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate.
What is the SMILES notation for [2-(3-chloro-2-methylanilino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
The canonical SMILES for [2-(3-chloro-2-methylanilino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1OC.
What is the InChIKey of [2-(3-chloro-2-methylanilino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
The InChIKey is IDOPLGZLQDAZGE-PGMHBOJBSA-N. The full InChI is InChI=1S/C32H29ClN2O5/c1-19-24(33)11-7-13-25(19)34-29(36)18-40-32(37)30-22-9-4-5-12-26(22)35-31-21(8-6-10-23(30)31)16-20-14-15-27(38-2)28(17-20)39-3/h4-5,7,9,11-17H,6,8,10,18H2,1-3H3,(H,34,36)/b21-16-.
What are the key properties of [2-(3-chloro-2-methylanilino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
[2-(3-chloro-2-methylanilino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate has a molecular weight of 557.05 g/mol, XLogP of 6.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-methylanilino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 84582750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).