7-methyl-4-[[4-(methylcarbamoyl)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid

C24H22N2O3 — CID 91942267

IUPAC7-methyl-4-[[4-(methylcarbamoyl)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESCNC(=O)c1ccc(C=C2CCCc3c2nc2ccc(C)cc2c3C(=O)O)cc1
InChIInChI=1S/C24H22N2O3/c1-14-6-11-20-19(12-14)21(24(28)29)18-5-3-4-17(22(18)26-20)13-15-7-9-16(10-8-15)23(27)25-2/h6-13H,3-5H2,1-2H3,(H,25,27)(H,28,29)
InChIKeyNNBQFOLRRUYFLK-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.48
Rot. Bonds3

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

7-methyl-4-[[4-(methylcarbamoyl)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid (PubChem CID 91942267) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 7-methyl-4-[[4-(methylcarbamoyl)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid.

Molecular Properties

Compound Name7-methyl-4-[[4-(methylcarbamoyl)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
PubChem CID91942267
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name7-methyl-4-[[4-(methylcarbamoyl)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESCNC(=O)c1ccc(C=C2CCCc3c2nc2ccc(C)cc2c3C(=O)O)cc1
InChIInChI=1S/C24H22N2O3/c1-14-6-11-20-19(12-14)21(24(28)29)18-5-3-4-17(22(18)26-20)13-15-7-9-16(10-8-15)23(27)25-2/h6-13H,3-5H2,1-2H3,(H,25,27)(H,28,29)
InChIKeyNNBQFOLRRUYFLK-UHFFFAOYSA-N
XLogP4.48
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[[4-(methylcarbamoyl)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?
The IUPAC name of 7-methyl-4-[[4-(methylcarbamoyl)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid (CID 91942267) is 7-methyl-4-[[4-(methylcarbamoyl)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid.
What is the SMILES notation for 7-methyl-4-[[4-(methylcarbamoyl)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?
The canonical SMILES for 7-methyl-4-[[4-(methylcarbamoyl)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is CNC(=O)c1ccc(C=C2CCCc3c2nc2ccc(C)cc2c3C(=O)O)cc1.
What is the InChIKey of 7-methyl-4-[[4-(methylcarbamoyl)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?
The InChIKey is NNBQFOLRRUYFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-14-6-11-20-19(12-14)21(24(28)29)18-5-3-4-17(22(18)26-20)13-15-7-9-16(10-8-15)23(27)25-2/h6-13H,3-5H2,1-2H3,(H,25,27)(H,28,29).
What are the key properties of 7-methyl-4-[[4-(methylcarbamoyl)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?
7-methyl-4-[[4-(methylcarbamoyl)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid has a molecular weight of 386.45 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[[4-(methylcarbamoyl)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is sourced from PubChem (CID 91942267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).