(4-methoxycarbonylphenyl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C24H23NO4 — CID 4002903

IUPAC(4-methoxycarbonylphenyl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2c3c(nc4ccccc24)CCC(C)C3)cc1
InChIInChI=1S/C24H23NO4/c1-15-7-12-21-19(13-15)22(18-5-3-4-6-20(18)25-21)24(27)29-14-16-8-10-17(11-9-16)23(26)28-2/h3-6,8-11,15H,7,12-14H2,1-2H3
InChIKeyDBWSXFJXMXEEQZ-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.50
Rot. Bonds4

About (4-methoxycarbonylphenyl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

(4-methoxycarbonylphenyl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 4002903) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID4002903
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name(4-methoxycarbonylphenyl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2c3c(nc4ccccc24)CCC(C)C3)cc1
InChIInChI=1S/C24H23NO4/c1-15-7-12-21-19(13-15)22(18-5-3-4-6-20(18)25-21)24(27)29-14-16-8-10-17(11-9-16)23(26)28-2/h3-6,8-11,15H,7,12-14H2,1-2H3
InChIKeyDBWSXFJXMXEEQZ-UHFFFAOYSA-N
XLogP4.50
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2585220
dimethyl 2-[[2-(2-methyl-1,2,3,4-tetrahydroacridine-9-carbonyl)oxyacetyl]amino]benzene-1,4-dicarboxylate
CID 23996487
phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2490463
phenacyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4145208
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 18130518
[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2102887
(5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 9139057
[2-oxo-2-(propylamino)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2599503
[3-(dimethylsulfamoyl)phenyl]methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4040466
[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2428411
[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2696059
[2-(methylcarbamoylamino)-2-oxoethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2631999

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of (4-methoxycarbonylphenyl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 4002903) is (4-methoxycarbonylphenyl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for (4-methoxycarbonylphenyl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for (4-methoxycarbonylphenyl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is COC(=O)c1ccc(COC(=O)c2c3c(nc4ccccc24)CCC(C)C3)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is DBWSXFJXMXEEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-15-7-12-21-19(13-15)22(18-5-3-4-6-20(18)25-21)24(27)29-14-16-8-10-17(11-9-16)23(26)28-2/h3-6,8-11,15H,7,12-14H2,1-2H3.
What are the key properties of (4-methoxycarbonylphenyl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
(4-methoxycarbonylphenyl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 389.45 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 4002903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).