[2-(dimethylamino)-7-bicyclo[2.2.1]heptanyl] 9-hydroxy-10H-acridine-9-carboxylate

C23H26N2O3 — CID 143485558

IUPAC[2-(dimethylamino)-7-bicyclo[2.2.1]heptanyl] 9-hydroxy-10H-acridine-9-carboxylate
SMILESCN(C)C1CC2CCC1C2OC(=O)C1(O)c2ccccc2Nc2ccccc21
InChIInChI=1S/C23H26N2O3/c1-25(2)20-13-14-11-12-15(20)21(14)28-22(26)23(27)16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)23/h3-10,14-15,20-21,24,27H,11-13H2,1-2H3
InChIKeyXKTAIXXNHFROTB-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.25
Rot. Bonds3

About [2-(dimethylamino)-7-bicyclo[2.2.1]heptanyl] 9-hydroxy-10H-acridine-9-carboxylate

[2-(dimethylamino)-7-bicyclo[2.2.1]heptanyl] 9-hydroxy-10H-acridine-9-carboxylate (PubChem CID 143485558) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is [2-(dimethylamino)-7-bicyclo[2.2.1]heptanyl] 9-hydroxy-10H-acridine-9-carboxylate.

Molecular Properties

Compound Name[2-(dimethylamino)-7-bicyclo[2.2.1]heptanyl] 9-hydroxy-10H-acridine-9-carboxylate
PubChem CID143485558
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name[2-(dimethylamino)-7-bicyclo[2.2.1]heptanyl] 9-hydroxy-10H-acridine-9-carboxylate
SMILESCN(C)C1CC2CCC1C2OC(=O)C1(O)c2ccccc2Nc2ccccc21
InChIInChI=1S/C23H26N2O3/c1-25(2)20-13-14-11-12-15(20)21(14)28-22(26)23(27)16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)23/h3-10,14-15,20-21,24,27H,11-13H2,1-2H3
InChIKeyXKTAIXXNHFROTB-UHFFFAOYSA-N
XLogP3.25
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-7-bicyclo[2.2.1]heptanyl] 9-hydroxy-10H-acridine-9-carboxylate?
The IUPAC name of [2-(dimethylamino)-7-bicyclo[2.2.1]heptanyl] 9-hydroxy-10H-acridine-9-carboxylate (CID 143485558) is [2-(dimethylamino)-7-bicyclo[2.2.1]heptanyl] 9-hydroxy-10H-acridine-9-carboxylate.
What is the SMILES notation for [2-(dimethylamino)-7-bicyclo[2.2.1]heptanyl] 9-hydroxy-10H-acridine-9-carboxylate?
The canonical SMILES for [2-(dimethylamino)-7-bicyclo[2.2.1]heptanyl] 9-hydroxy-10H-acridine-9-carboxylate is CN(C)C1CC2CCC1C2OC(=O)C1(O)c2ccccc2Nc2ccccc21.
What is the InChIKey of [2-(dimethylamino)-7-bicyclo[2.2.1]heptanyl] 9-hydroxy-10H-acridine-9-carboxylate?
The InChIKey is XKTAIXXNHFROTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-25(2)20-13-14-11-12-15(20)21(14)28-22(26)23(27)16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)23/h3-10,14-15,20-21,24,27H,11-13H2,1-2H3.
What are the key properties of [2-(dimethylamino)-7-bicyclo[2.2.1]heptanyl] 9-hydroxy-10H-acridine-9-carboxylate?
[2-(dimethylamino)-7-bicyclo[2.2.1]heptanyl] 9-hydroxy-10H-acridine-9-carboxylate has a molecular weight of 378.47 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-7-bicyclo[2.2.1]heptanyl] 9-hydroxy-10H-acridine-9-carboxylate is sourced from PubChem (CID 143485558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).