(4E)-4-[(4-methoxycarbonylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

C23H18NO4- — CID 7946332

IUPAC(4E)-4-[(4-methoxycarbonylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
SMILESCOC(=O)c1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)[O-])cc1
InChIInChI=1S/C23H19NO4/c1-28-23(27)15-11-9-14(10-12-15)13-16-5-4-7-18-20(22(25)26)17-6-2-3-8-19(17)24-21(16)18/h2-3,6,8-13H,4-5,7H2,1H3,(H,25,26)/p-1/b16-13+
InChIKeyHYLOVMATTHLUGQ-DTQAZKPQSA-M
MW372.40 g/mol
LogP3.26
Rot. Bonds3

About (4E)-4-[(4-methoxycarbonylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

(4E)-4-[(4-methoxycarbonylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 7946332) has the molecular formula C23H18NO4- and a molecular weight of 372.40 g/mol. Its IUPAC name is (4E)-4-[(4-methoxycarbonylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

Compound Name(4E)-4-[(4-methoxycarbonylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
PubChem CID7946332
Molecular FormulaC23H18NO4-
Molecular Weight372.40 g/mol
Exact Mass372.12
IUPAC Name(4E)-4-[(4-methoxycarbonylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
SMILESCOC(=O)c1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)[O-])cc1
InChIInChI=1S/C23H19NO4/c1-28-23(27)15-11-9-14(10-12-15)13-16-5-4-7-18-20(22(25)26)17-6-2-3-8-19(17)24-21(16)18/h2-3,6,8-13H,4-5,7H2,1H3,(H,25,26)/p-1/b16-13+
InChIKeyHYLOVMATTHLUGQ-DTQAZKPQSA-M
XLogP3.26
TPSA79.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4E)-4-[(4-methylsulfanylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 7946324
4-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3748703
(4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 7946339
(4E)-4-[(2,6-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 7946327
(3E)-3-[[4-(difluoromethoxy)phenyl]methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 7858628
(4E)-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6245839
[2-(ethylamino)-2-oxoethyl] (4E)-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 6213329
(4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-benzo[b][1,6]naphthyridin-2-ium-10-carboxylate
CID 8864346
(4-methoxycarbonylphenyl)methyl 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 3429530
cyanomethyl 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 3393320
phenacyl 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 4988283
[2-oxo-2-(4-phenylphenyl)ethyl] (4E)-4-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 135580258

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-methoxycarbonylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
The IUPAC name of (4E)-4-[(4-methoxycarbonylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate (CID 7946332) is (4E)-4-[(4-methoxycarbonylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate.
What is the SMILES notation for (4E)-4-[(4-methoxycarbonylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
The canonical SMILES for (4E)-4-[(4-methoxycarbonylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is COC(=O)c1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)[O-])cc1.
What is the InChIKey of (4E)-4-[(4-methoxycarbonylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
The InChIKey is HYLOVMATTHLUGQ-DTQAZKPQSA-M. The full InChI is InChI=1S/C23H19NO4/c1-28-23(27)15-11-9-14(10-12-15)13-16-5-4-7-18-20(22(25)26)17-6-2-3-8-19(17)24-21(16)18/h2-3,6,8-13H,4-5,7H2,1H3,(H,25,26)/p-1/b16-13+.
What are the key properties of (4E)-4-[(4-methoxycarbonylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
(4E)-4-[(4-methoxycarbonylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate has a molecular weight of 372.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-methoxycarbonylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 7946332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).