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

C23H21NO3 — CID 7946315

IUPAC(4E)-4-[(2-ethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESCCOc1ccccc1/C=C1\CCCc2c1nc1ccccc1c2C(=O)O
InChIInChI=1S/C23H21NO3/c1-2-27-20-13-6-3-8-15(20)14-16-9-7-11-18-21(23(25)26)17-10-4-5-12-19(17)24-22(16)18/h3-6,8,10,12-14H,2,7,9,11H2,1H3,(H,25,26)/b16-14+
InChIKeyMICBLAOTGRRRCA-JQIJEIRASA-N
MW359.43 g/mol
LogP5.21
Rot. Bonds4

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

(4E)-4-[(2-ethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid (PubChem CID 7946315) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (4E)-4-[(2-ethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid.

Molecular Properties

Compound Name(4E)-4-[(2-ethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
PubChem CID7946315
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name(4E)-4-[(2-ethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESCCOc1ccccc1/C=C1\CCCc2c1nc1ccccc1c2C(=O)O
InChIInChI=1S/C23H21NO3/c1-2-27-20-13-6-3-8-15(20)14-16-9-7-11-18-21(23(25)26)17-10-4-5-12-19(17)24-22(16)18/h3-6,8,10,12-14H,2,7,9,11H2,1H3,(H,25,26)/b16-14+
InChIKeyMICBLAOTGRRRCA-JQIJEIRASA-N
XLogP5.21
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-ethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3533177
4-[(4-butoxy-3-ethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 4275089
(4E)-4-[(2,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6524431
(4E)-4-[(4-methoxy-3-propoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7946364
4-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3748703
(2S,4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7984804
(4E)-4-[(2,6-difluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6107892
(4E)-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6245839
4-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3958469
4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3377356
3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 3665760
(4E)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7946361

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(2-ethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?
The IUPAC name of (4E)-4-[(2-ethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid (CID 7946315) is (4E)-4-[(2-ethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid.
What is the SMILES notation for (4E)-4-[(2-ethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?
The canonical SMILES for (4E)-4-[(2-ethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is CCOc1ccccc1/C=C1\CCCc2c1nc1ccccc1c2C(=O)O.
What is the InChIKey of (4E)-4-[(2-ethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?
The InChIKey is MICBLAOTGRRRCA-JQIJEIRASA-N. The full InChI is InChI=1S/C23H21NO3/c1-2-27-20-13-6-3-8-15(20)14-16-9-7-11-18-21(23(25)26)17-10-4-5-12-19(17)24-22(16)18/h3-6,8,10,12-14H,2,7,9,11H2,1H3,(H,25,26)/b16-14+.
What are the key properties of (4E)-4-[(2-ethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?
(4E)-4-[(2-ethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(2-ethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is sourced from PubChem (CID 7946315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).