[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (4Z)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate

C32H30N2O3 — CID 98409585

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (4Z)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CCC2
InChIInChI=1S/C32H30N2O3/c1-3-23-14-9-11-21(2)30(23)34-28(35)20-37-32(36)29-25-16-7-8-18-27(25)33-31-24(15-10-17-26(29)31)19-22-12-5-4-6-13-22/h4-9,11-14,16,18-19H,3,10,15,17,20H2,1-2H3,(H,34,35)/b24-19-
InChIKeyQQGLHVICACPSDF-CLCOLTQESA-N
MW490.60 g/mol
LogP6.78
Rot. Bonds6

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (4Z)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (4Z)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 98409585) has the molecular formula C32H30N2O3 and a molecular weight of 490.60 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (4Z)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (4Z)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate
PubChem CID98409585
Molecular FormulaC32H30N2O3
Molecular Weight490.60 g/mol
Exact Mass490.23
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (4Z)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CCC2
InChIInChI=1S/C32H30N2O3/c1-3-23-14-9-11-21(2)30(23)34-28(35)20-37-32(36)29-25-16-7-8-18-27(25)33-31-24(15-10-17-26(29)31)19-22-12-5-4-6-13-22/h4-9,11-14,16,18-19H,3,10,15,17,20H2,1-2H3,(H,34,35)/b24-19-
InChIKeyQQGLHVICACPSDF-CLCOLTQESA-N
XLogP6.78
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (4Z)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate with MolForge

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl] (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 15945273
[2-(ethylamino)-2-oxoethyl] (4E)-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 6213329
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825120
[2-(3-fluoroanilino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 71953573
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] (4E)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate
CID 16535171
[2-(carbamoylamino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 4554981
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 7855214
[2-(3-chloro-2-methylanilino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 84582750
phenacyl 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 4988283
[2-(3-bromoanilino)-2-oxoethyl] 4-[(4-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 5233597
[2-(methylamino)-2-oxoethyl] (4E)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 8661946
[2-(ethylamino)-2-oxoethyl] (3Z)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 92934183

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (4Z)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (4Z)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate (CID 98409585) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (4Z)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (4Z)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (4Z)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate is CCc1cccc(C)c1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CCC2.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (4Z)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate?
The InChIKey is QQGLHVICACPSDF-CLCOLTQESA-N. The full InChI is InChI=1S/C32H30N2O3/c1-3-23-14-9-11-21(2)30(23)34-28(35)20-37-32(36)29-25-16-7-8-18-27(25)33-31-24(15-10-17-26(29)31)19-22-12-5-4-6-13-22/h4-9,11-14,16,18-19H,3,10,15,17,20H2,1-2H3,(H,34,35)/b24-19-.
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (4Z)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (4Z)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate has a molecular weight of 490.60 g/mol, XLogP of 6.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (4Z)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 98409585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).