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

C22H18FNO2 — CID 4023473

IUPAC4-[(3-fluorophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESCC1CC(=Cc2cccc(F)c2)c2nc3ccccc3c(C(=O)O)c2C1
InChIInChI=1S/C22H18FNO2/c1-13-9-15(11-14-5-4-6-16(23)12-14)21-18(10-13)20(22(25)26)17-7-2-3-8-19(17)24-21/h2-8,11-13H,9-10H2,1H3,(H,25,26)
InChIKeyXGJYCXXOSLVTPT-UHFFFAOYSA-N
MW347.39 g/mol
LogP5.20
Rot. Bonds2

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

4-[(3-fluorophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid (PubChem CID 4023473) has the molecular formula C22H18FNO2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
PubChem CID4023473
Molecular FormulaC22H18FNO2
Molecular Weight347.39 g/mol
Exact Mass347.13
IUPAC Name4-[(3-fluorophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESCC1CC(=Cc2cccc(F)c2)c2nc3ccccc3c(C(=O)O)c2C1
InChIInChI=1S/C22H18FNO2/c1-13-9-15(11-14-5-4-6-16(23)12-14)21-18(10-13)20(22(25)26)17-7-2-3-8-19(17)24-21/h2-8,11-13H,9-10H2,1H3,(H,25,26)
InChIKeyXGJYCXXOSLVTPT-UHFFFAOYSA-N
XLogP5.20
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.39
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-4-[(3-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 5219614
(4E)-2-methyl-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 45463969
(2R,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 7062766
(4Z)-2-ethyl-4-[(3-fluorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 92931335
(4E)-4-[[4-(3,4-dichlorophenyl)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 171480887
(2R,4Z)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7716509
(2S,4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7984804
(4E)-4-[[4-[2,6-dichloro-4-(trifluoromethyl)phenyl]phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 171480907
4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 4847960
4-[[2-(difluoromethoxy)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3467329
4-(4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl)-1,4-diazepane-1-carboxamide
CID 72687319
[(1R)-1-cyanoethyl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 7198854

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid?
The IUPAC name of 4-[(3-fluorophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid (CID 4023473) is 4-[(3-fluorophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid.
What is the SMILES notation for 4-[(3-fluorophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid?
The canonical SMILES for 4-[(3-fluorophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid is CC1CC(=Cc2cccc(F)c2)c2nc3ccccc3c(C(=O)O)c2C1.
What is the InChIKey of 4-[(3-fluorophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid?
The InChIKey is XGJYCXXOSLVTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO2/c1-13-9-15(11-14-5-4-6-16(23)12-14)21-18(10-13)20(22(25)26)17-7-2-3-8-19(17)24-21/h2-8,11-13H,9-10H2,1H3,(H,25,26).
What are the key properties of 4-[(3-fluorophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid?
4-[(3-fluorophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid has a molecular weight of 347.39 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid is sourced from PubChem (CID 4023473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).