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

C25H24N2O5 — CID 4847960

IUPAC4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESCOc1cc(C=C2CC(C)Cc3c2nc2ccccc2c3C(=O)O)ccc1OCC(N)=O
InChIInChI=1S/C25H24N2O5/c1-14-9-16(11-15-7-8-20(21(12-15)31-2)32-13-22(26)28)24-18(10-14)23(25(29)30)17-5-3-4-6-19(17)27-24/h3-8,11-12,14H,9-10,13H2,1-2H3,(H2,26,28)(H,29,30)
InChIKeySUZMUCFWDYRSID-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.93
Rot. Bonds6

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

4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid (PubChem CID 4847960) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
PubChem CID4847960
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESCOc1cc(C=C2CC(C)Cc3c2nc2ccccc2c3C(=O)O)ccc1OCC(N)=O
InChIInChI=1S/C25H24N2O5/c1-14-9-16(11-15-7-8-20(21(12-15)31-2)32-13-22(26)28)24-18(10-14)23(25(29)30)17-5-3-4-6-19(17)27-24/h3-8,11-12,14H,9-10,13H2,1-2H3,(H2,26,28)(H,29,30)
InChIKeySUZMUCFWDYRSID-UHFFFAOYSA-N
XLogP3.93
TPSA111.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7984804
4-[(3-fluorophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 4023473
(4E)-4-[(4-methoxy-3-propoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7946364
4-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3958469
(4E)-4-[[4-(3,4-dichlorophenyl)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 171480887
(4E)-2-methyl-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 45463969
(4E)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7946361
(4Z)-N-(2-amino-2-oxoethyl)-4-[(4-methoxyphenyl)methylidene]-2-methyl-N-propan-2-yl-2,3-dihydro-1H-acridine-9-carboxamide
CID 112808183
(3E)-3-[[3-methoxy-4-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 6529094
phenacyl 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 3929787
(2R,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 7062766
(4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 7946339

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid?
The IUPAC name of 4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid (CID 4847960) is 4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid.
What is the SMILES notation for 4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid?
The canonical SMILES for 4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid is COc1cc(C=C2CC(C)Cc3c2nc2ccccc2c3C(=O)O)ccc1OCC(N)=O.
What is the InChIKey of 4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid?
The InChIKey is SUZMUCFWDYRSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-14-9-16(11-15-7-8-20(21(12-15)31-2)32-13-22(26)28)24-18(10-14)23(25(29)30)17-5-3-4-6-19(17)27-24/h3-8,11-12,14H,9-10,13H2,1-2H3,(H2,26,28)(H,29,30).
What are the key properties of 4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid?
4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid has a molecular weight of 432.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid is sourced from PubChem (CID 4847960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).