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

C24H25NO2 — CID 7889985

IUPAC(4-propan-2-ylphenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC(C)c1ccc(COC(=O)c2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C24H25NO2/c1-16(2)18-13-11-17(12-14-18)15-27-24(26)23-19-7-3-5-9-21(19)25-22-10-6-4-8-20(22)23/h3,5,7,9,11-14,16H,4,6,8,10,15H2,1-2H3
InChIKeyCZBDUPPJOWBURQ-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.59
Rot. Bonds4

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

(4-propan-2-ylphenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 7889985) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID7889985
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(4-propan-2-ylphenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC(C)c1ccc(COC(=O)c2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C24H25NO2/c1-16(2)18-13-11-17(12-14-18)15-27-24(26)23-19-7-3-5-9-21(19)25-22-10-6-4-8-20(22)23/h3,5,7,9,11-14,16H,4,6,8,10,15H2,1-2H3
InChIKeyCZBDUPPJOWBURQ-UHFFFAOYSA-N
XLogP5.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 16578464
(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2585220
[2-oxo-2-(propan-2-ylamino)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2626930
(2-fluorophenyl)methyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 7277092
[2-(4-ethylphenyl)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 3394606
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 7300487
2-(4-methoxyphenyl)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7839905
(2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 23851285
2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4209036
(5-methyl-1,2-oxazol-3-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 8943905
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7626490
(4-oxo-3H-quinazolin-2-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 135734795

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of (4-propan-2-ylphenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate (CID 7889985) is (4-propan-2-ylphenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for (4-propan-2-ylphenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for (4-propan-2-ylphenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate is CC(C)c1ccc(COC(=O)c2c3c(nc4ccccc24)CCCC3)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is CZBDUPPJOWBURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-16(2)18-13-11-17(12-14-18)15-27-24(26)23-19-7-3-5-9-21(19)25-22-10-6-4-8-20(22)23/h3,5,7,9,11-14,16H,4,6,8,10,15H2,1-2H3.
What are the key properties of (4-propan-2-ylphenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate?
(4-propan-2-ylphenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 7889985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).