2,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

C16H17NO2 — CID 64775542

IUPAC2,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCC1Cc2c(nc3ccccc3c2C(=O)O)C(C)C1
InChIInChI=1S/C16H17NO2/c1-9-7-10(2)15-12(8-9)14(16(18)19)11-5-3-4-6-13(11)17-15/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyTUPUZNXEKVMNLO-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.62
Rot. Bonds1

About 2,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

2,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (PubChem CID 64775542) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
PubChem CID64775542
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCC1Cc2c(nc3ccccc3c2C(=O)O)C(C)C1
InChIInChI=1S/C16H17NO2/c1-9-7-10(2)15-12(8-9)14(16(18)19)11-5-3-4-6-13(11)17-15/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyTUPUZNXEKVMNLO-UHFFFAOYSA-N
XLogP3.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The IUPAC name of 2,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CID 64775542) is 2,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is CC1Cc2c(nc3ccccc3c2C(=O)O)C(C)C1.
What is the InChIKey of 2,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The InChIKey is TUPUZNXEKVMNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-9-7-10(2)15-12(8-9)14(16(18)19)11-5-3-4-6-13(11)17-15/h3-6,9-10H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
2,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is sourced from PubChem (CID 64775542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).