(4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid

C25H24N2O3 — CID 7946308

IUPAC(4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N3CCOCC3)cc1)CCC2
InChIInChI=1S/C25H24N2O3/c28-25(29)23-20-5-1-2-7-22(20)26-24-18(4-3-6-21(23)24)16-17-8-10-19(11-9-17)27-12-14-30-15-13-27/h1-2,5,7-11,16H,3-4,6,12-15H2,(H,28,29)/b18-16+
InChIKeyNWXNSFQHXWCOBE-FBMGVBCBSA-N
MW400.48 g/mol
LogP4.65
Rot. Bonds3

About (4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid

(4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid (PubChem CID 7946308) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is (4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid.

Molecular Properties

Compound Name(4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
PubChem CID7946308
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name(4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N3CCOCC3)cc1)CCC2
InChIInChI=1S/C25H24N2O3/c28-25(29)23-20-5-1-2-7-22(20)26-24-18(4-3-6-21(23)24)16-17-8-10-19(11-9-17)27-12-14-30-15-13-27/h1-2,5,7-11,16H,3-4,6,12-15H2,(H,28,29)/b18-16+
InChIKeyNWXNSFQHXWCOBE-FBMGVBCBSA-N
XLogP4.65
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

4-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3748703
(4E)-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6245839
(4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 86767876
(4Z)-4-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 51109672
4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3377356
(4E)-4-[(2,6-difluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6107892
(4E)-4-[(4-methylsulfanylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 7946324
3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 5009990
(3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 75409701
(4E)-4-[(4-methoxycarbonylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 7946332
N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 8961124
(2-morpholin-4-yl-2-oxoethyl) (4Z)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 16535444

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?
The IUPAC name of (4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid (CID 7946308) is (4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid.
What is the SMILES notation for (4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?
The canonical SMILES for (4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N3CCOCC3)cc1)CCC2.
What is the InChIKey of (4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?
The InChIKey is NWXNSFQHXWCOBE-FBMGVBCBSA-N. The full InChI is InChI=1S/C25H24N2O3/c28-25(29)23-20-5-1-2-7-22(20)26-24-18(4-3-6-21(23)24)16-17-8-10-19(11-9-17)27-12-14-30-15-13-27/h1-2,5,7-11,16H,3-4,6,12-15H2,(H,28,29)/b18-16+.
What are the key properties of (4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?
(4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid has a molecular weight of 400.48 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is sourced from PubChem (CID 7946308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).