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

C22H19NO2 — CID 3377356

IUPAC4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESCc1cccc(C=C2CCCc3c2nc2ccccc2c3C(=O)O)c1
InChIInChI=1S/C22H19NO2/c1-14-6-4-7-15(12-14)13-16-8-5-10-18-20(22(24)25)17-9-2-3-11-19(17)23-21(16)18/h2-4,6-7,9,11-13H,5,8,10H2,1H3,(H,24,25)
InChIKeyDPIZZIYQMHFFJG-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.12
Rot. Bonds2

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

4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid (PubChem CID 3377356) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
PubChem CID3377356
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESCc1cccc(C=C2CCCc3c2nc2ccccc2c3C(=O)O)c1
InChIInChI=1S/C22H19NO2/c1-14-6-4-7-15(12-14)13-16-8-5-10-18-20(22(24)25)17-9-2-3-11-19(17)23-21(16)18/h2-4,6-7,9,11-13H,5,8,10H2,1H3,(H,24,25)
InChIKeyDPIZZIYQMHFFJG-UHFFFAOYSA-N
XLogP5.12
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 86767876
4-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3748703
(4Z)-4-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 51109672
(4E)-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6245839
(4E)-4-[(2,6-difluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6107892
(4E)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7946361
(4E)-4-[(2,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6524431
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-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 135591214
4-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3958469
(4E)-4-[(4-methoxy-3-propoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7946364

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?
The IUPAC name of 4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid (CID 3377356) is 4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid.
What is the SMILES notation for 4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?
The canonical SMILES for 4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is Cc1cccc(C=C2CCCc3c2nc2ccccc2c3C(=O)O)c1.
What is the InChIKey of 4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?
The InChIKey is DPIZZIYQMHFFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-14-6-4-7-15(12-14)13-16-8-5-10-18-20(22(24)25)17-9-2-3-11-19(17)23-21(16)18/h2-4,6-7,9,11-13H,5,8,10H2,1H3,(H,24,25).
What are the key properties of 4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?
4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is sourced from PubChem (CID 3377356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).