(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid

C23H21NO4 — CID 6087012

IUPAC(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESCOc1ccc(/C=C2\CCCc3c2nc2ccc(C)cc2c3C(=O)O)cc1O
InChIInChI=1S/C23H21NO4/c1-13-6-8-18-17(10-13)21(23(26)27)16-5-3-4-15(22(16)24-18)11-14-7-9-20(28-2)19(25)12-14/h6-12,25H,3-5H2,1-2H3,(H,26,27)/b15-11+
InChIKeyYFSJORYFTRLFCD-RVDMUPIBSA-N
MW375.42 g/mol
LogP4.83
Rot. Bonds3

About (4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid

(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid (PubChem CID 6087012) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is (4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid.

Molecular Properties

Compound Name(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
PubChem CID6087012
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESCOc1ccc(/C=C2\CCCc3c2nc2ccc(C)cc2c3C(=O)O)cc1O
InChIInChI=1S/C23H21NO4/c1-13-6-8-18-17(10-13)21(23(26)27)16-5-3-4-15(22(16)24-18)11-14-7-9-20(28-2)19(25)12-14/h6-12,25H,3-5H2,1-2H3,(H,26,27)/b15-11+
InChIKeyYFSJORYFTRLFCD-RVDMUPIBSA-N
XLogP4.83
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid?
The IUPAC name of (4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid (CID 6087012) is (4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid.
What is the SMILES notation for (4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid?
The canonical SMILES for (4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid is COc1ccc(/C=C2\CCCc3c2nc2ccc(C)cc2c3C(=O)O)cc1O.
What is the InChIKey of (4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid?
The InChIKey is YFSJORYFTRLFCD-RVDMUPIBSA-N. The full InChI is InChI=1S/C23H21NO4/c1-13-6-8-18-17(10-13)21(23(26)27)16-5-3-4-15(22(16)24-18)11-14-7-9-20(28-2)19(25)12-14/h6-12,25H,3-5H2,1-2H3,(H,26,27)/b15-11+.
What are the key properties of (4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid?
(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid has a molecular weight of 375.42 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid is sourced from PubChem (CID 6087012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).