1,5-dimethylacridine-4-carboxylic acid

C16H13NO2 — CID 10634490

IUPAC1,5-dimethylacridine-4-carboxylic acid
SMILESCc1ccc(C(=O)O)c2nc3c(C)cccc3cc12
InChIInChI=1S/C16H13NO2/c1-9-6-7-12(16(18)19)15-13(9)8-11-5-3-4-10(2)14(11)17-15/h3-8H,1-2H3,(H,18,19)
InChIKeyHCGBOYZGJMQTPI-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.70
Rot. Bonds1

About 1,5-dimethylacridine-4-carboxylic acid

1,5-dimethylacridine-4-carboxylic acid (PubChem CID 10634490) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1,5-dimethylacridine-4-carboxylic acid.

Molecular Properties

Compound Name1,5-dimethylacridine-4-carboxylic acid
PubChem CID10634490
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name1,5-dimethylacridine-4-carboxylic acid
SMILESCc1ccc(C(=O)O)c2nc3c(C)cccc3cc12
InChIInChI=1S/C16H13NO2/c1-9-6-7-12(16(18)19)15-13(9)8-11-5-3-4-10(2)14(11)17-15/h3-8H,1-2H3,(H,18,19)
InChIKeyHCGBOYZGJMQTPI-UHFFFAOYSA-N
XLogP3.70
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylacridine-4-carboxylic acid?
The IUPAC name of 1,5-dimethylacridine-4-carboxylic acid (CID 10634490) is 1,5-dimethylacridine-4-carboxylic acid.
What is the SMILES notation for 1,5-dimethylacridine-4-carboxylic acid?
The canonical SMILES for 1,5-dimethylacridine-4-carboxylic acid is Cc1ccc(C(=O)O)c2nc3c(C)cccc3cc12.
What is the InChIKey of 1,5-dimethylacridine-4-carboxylic acid?
The InChIKey is HCGBOYZGJMQTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-9-6-7-12(16(18)19)15-13(9)8-11-5-3-4-10(2)14(11)17-15/h3-8H,1-2H3,(H,18,19).
What are the key properties of 1,5-dimethylacridine-4-carboxylic acid?
1,5-dimethylacridine-4-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylacridine-4-carboxylic acid is sourced from PubChem (CID 10634490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).