[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate

C24H21N3O4 — CID 24530725

IUPAC[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCOc1ccc(-c2nnc(COC(=O)c3c4c(nc5ccccc35)CCCC4)o2)cc1
InChIInChI=1S/C24H21N3O4/c1-29-16-12-10-15(11-13-16)23-27-26-21(31-23)14-30-24(28)22-17-6-2-4-8-19(17)25-20-9-5-3-7-18(20)22/h2,4,6,8,10-13H,3,5,7,9,14H2,1H3
InChIKeyCNTPLZQYJLPNLY-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.53
Rot. Bonds5

About [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 24530725) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID24530725
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCOc1ccc(-c2nnc(COC(=O)c3c4c(nc5ccccc35)CCCC4)o2)cc1
InChIInChI=1S/C24H21N3O4/c1-29-16-12-10-15(11-13-16)23-27-26-21(31-23)14-30-24(28)22-17-6-2-4-8-19(17)25-20-9-5-3-7-18(20)22/h2,4,6,8,10-13H,3,5,7,9,14H2,1H3
InChIKeyCNTPLZQYJLPNLY-UHFFFAOYSA-N
XLogP4.53
TPSA87.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

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Related Compounds

(4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 16578464
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (4E)-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 16535429
2-(4-methoxyphenyl)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7839905
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2647320
(4-methoxyphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239887
[2-(3-methoxyphenyl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2146251
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7603649
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7603647
(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2585220
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 8948935
(5-methyl-1,2-oxazol-3-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 8943905
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 18138403

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate (CID 24530725) is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate is COc1ccc(-c2nnc(COC(=O)c3c4c(nc5ccccc35)CCCC4)o2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is CNTPLZQYJLPNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-29-16-12-10-15(11-13-16)23-27-26-21(31-23)14-30-24(28)22-17-6-2-4-8-19(17)25-20-9-5-3-7-18(20)22/h2,4,6,8,10-13H,3,5,7,9,14H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate?
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 415.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 24530725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).