(4Z)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide

C28H31N3O3 — CID 112812091

IUPAC(4Z)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CCC2
InChIInChI=1S/C28H31N3O3/c1-4-29-25(32)18-31(5-2)28(33)26-22-10-6-7-12-24(22)30-27-20(9-8-11-23(26)27)17-19-13-15-21(34-3)16-14-19/h6-7,10,12-17H,4-5,8-9,11,18H2,1-3H3,(H,29,32)/b20-17-
InChIKeyAUZWWQJKBWHKDX-JZJYNLBNSA-N
MW457.57 g/mol
LogP4.72
Rot. Bonds7

About (4Z)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide

(4Z)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide (PubChem CID 112812091) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is (4Z)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide.

Molecular Properties

Compound Name(4Z)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide
PubChem CID112812091
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name(4Z)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CCC2
InChIInChI=1S/C28H31N3O3/c1-4-29-25(32)18-31(5-2)28(33)26-22-10-6-7-12-24(22)30-27-20(9-8-11-23(26)27)17-19-13-15-21(34-3)16-14-19/h6-7,10,12-17H,4-5,8-9,11,18H2,1-3H3,(H,29,32)/b20-17-
InChIKeyAUZWWQJKBWHKDX-JZJYNLBNSA-N
XLogP4.72
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethylamino)-2-oxoethyl] (4E)-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 6213329
[2-(ethylamino)-2-oxoethyl] (3Z)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 92934183
(4E)-4-[(4-methoxycarbonylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 7946332
N-[3-(dimethylamino)propyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 76859122
(2-methoxy-2-oxoethyl) (3E)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 16568709
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 4652895
[2-(ethylamino)-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 6213342
[(2S)-1-oxo-1-(propylamino)propan-2-yl] (3E)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 26828571
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (3E)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 6532481
4-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3748703
(4-nitrophenyl)methyl 4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 3504635
(3Z)-N-(1-hydroxypropan-2-yl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 78856882

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide?
The IUPAC name of (4Z)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide (CID 112812091) is (4Z)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide.
What is the SMILES notation for (4Z)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide?
The canonical SMILES for (4Z)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide is CCNC(=O)CN(CC)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CCC2.
What is the InChIKey of (4Z)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide?
The InChIKey is AUZWWQJKBWHKDX-JZJYNLBNSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-4-29-25(32)18-31(5-2)28(33)26-22-10-6-7-12-24(22)30-27-20(9-8-11-23(26)27)17-19-13-15-21(34-3)16-14-19/h6-7,10,12-17H,4-5,8-9,11,18H2,1-3H3,(H,29,32)/b20-17-.
What are the key properties of (4Z)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide?
(4Z)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide has a molecular weight of 457.57 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide is sourced from PubChem (CID 112812091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).