1,2,3-trimethylacridine-9-carboxylic acid

C17H15NO2 — CID 88617355

IUPAC1,2,3-trimethylacridine-9-carboxylic acid
SMILESCc1cc2nc3ccccc3c(C(=O)O)c2c(C)c1C
InChIInChI=1S/C17H15NO2/c1-9-8-14-15(11(3)10(9)2)16(17(19)20)12-6-4-5-7-13(12)18-14/h4-8H,1-3H3,(H,19,20)
InChIKeyFKYZOYFGPKPEGI-UHFFFAOYSA-N
MW265.31 g/mol
LogP4.01
Rot. Bonds1

About 1,2,3-trimethylacridine-9-carboxylic acid

1,2,3-trimethylacridine-9-carboxylic acid (PubChem CID 88617355) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1,2,3-trimethylacridine-9-carboxylic acid.

Molecular Properties

Compound Name1,2,3-trimethylacridine-9-carboxylic acid
PubChem CID88617355
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1,2,3-trimethylacridine-9-carboxylic acid
SMILESCc1cc2nc3ccccc3c(C(=O)O)c2c(C)c1C
InChIInChI=1S/C17H15NO2/c1-9-8-14-15(11(3)10(9)2)16(17(19)20)12-6-4-5-7-13(12)18-14/h4-8H,1-3H3,(H,19,20)
InChIKeyFKYZOYFGPKPEGI-UHFFFAOYSA-N
XLogP4.01
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 54.01
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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Related Compounds

3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
benzo[a]acridine-12-carboxylic acid
CID 54569893
3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid
CID 84819262
N,N-dimethylacridine-9-carboxamide
CID 125496081
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
methyl acridine-9-carboxylate
CID 21211
6-oxobenzo[c][1]benzazepine-11-carboxylic acid
CID 154239718
2,3-dimethylquinoline-4-carbonyl chloride
CID 59105963
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
1-(2,3-dimethoxyphenyl)acridine-9-carboxylic acid
CID 23057240
benzo[b]phenazine-6,11-dicarboxylic acid
CID 154692279
2,4-dimethylnaphthalene-1-carboxylic acid
CID 100912182

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethylacridine-9-carboxylic acid?
The IUPAC name of 1,2,3-trimethylacridine-9-carboxylic acid (CID 88617355) is 1,2,3-trimethylacridine-9-carboxylic acid.
What is the SMILES notation for 1,2,3-trimethylacridine-9-carboxylic acid?
The canonical SMILES for 1,2,3-trimethylacridine-9-carboxylic acid is Cc1cc2nc3ccccc3c(C(=O)O)c2c(C)c1C.
What is the InChIKey of 1,2,3-trimethylacridine-9-carboxylic acid?
The InChIKey is FKYZOYFGPKPEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-9-8-14-15(11(3)10(9)2)16(17(19)20)12-6-4-5-7-13(12)18-14/h4-8H,1-3H3,(H,19,20).
What are the key properties of 1,2,3-trimethylacridine-9-carboxylic acid?
1,2,3-trimethylacridine-9-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethylacridine-9-carboxylic acid is sourced from PubChem (CID 88617355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).