10-(trideuteriomethyl)-1H-acridine-9-carboxylic acid

C15H13NO2 — CID 90690422

IUPAC10-(trideuteriomethyl)-1H-acridine-9-carboxylic acid
SMILES[2H]C([2H])([2H])N1C2=CC=CCC2=C(C(=O)O)c2ccccc21
InChIInChI=1S/C15H13NO2/c1-16-12-8-4-2-6-10(12)14(15(17)18)11-7-3-5-9-13(11)16/h2-6,8-9H,7H2,1H3,(H,17,18)/i1D3
InChIKeyGQQVQAQSZCNEKW-FIBGUPNXSA-N
MW242.29 g/mol
LogP2.82
Rot. Bonds2

About 10-(trideuteriomethyl)-1H-acridine-9-carboxylic acid

10-(trideuteriomethyl)-1H-acridine-9-carboxylic acid (PubChem CID 90690422) has the molecular formula C15H13NO2 and a molecular weight of 242.29 g/mol. Its IUPAC name is 10-(trideuteriomethyl)-1H-acridine-9-carboxylic acid.

Molecular Properties

Compound Name10-(trideuteriomethyl)-1H-acridine-9-carboxylic acid
PubChem CID90690422
Molecular FormulaC15H13NO2
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name10-(trideuteriomethyl)-1H-acridine-9-carboxylic acid
SMILES[2H]C([2H])([2H])N1C2=CC=CCC2=C(C(=O)O)c2ccccc21
InChIInChI=1S/C15H13NO2/c1-16-12-8-4-2-6-10(12)14(15(17)18)11-7-3-5-9-13(11)16/h2-6,8-9H,7H2,1H3,(H,17,18)/i1D3
InChIKeyGQQVQAQSZCNEKW-FIBGUPNXSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 10-(trideuteriomethyl)-1H-acridine-9-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3,4,5,6-pentadeuteriophenyl) 10-(trideuteriomethyl)-1H-acridine-9-carboxylate
CID 91350654
methyl 10-methyl-1H-acridine-9-carboxylate
CID 22476889
(2,3,4,5,6-pentadeuteriophenyl) 10-methyl-1H-acridine-9-carboxylate
CID 91427743
10-methyl-9-phenyl-1H-acridine
CID 91525985
10-methyl-1H-acridine-9-carbonitrile
CID 91212501
6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid
CID 70384843
4-[[9-[10-[(4-methoxycarbonylphenyl)methyl]-1H-acridin-9-yl]-1H-acridin-10-yl]methyl]benzoic acid
CID 91016673
(2S)-N-[4-(10-methyl-1H-acridin-9-yl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 69434786
2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid
CID 517151
2-(1,3-dihydroisoindol-2-yl)cyclohexa-2,4-dien-1-one
CID 173211112
10-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]acridine-9-carboxylic acid
CID 154266016
2-cyclopenta-1,3-dien-1-ylbenzamide
CID 22676479

Frequently Asked Questions

What is the IUPAC name of 10-(trideuteriomethyl)-1H-acridine-9-carboxylic acid?
The IUPAC name of 10-(trideuteriomethyl)-1H-acridine-9-carboxylic acid (CID 90690422) is 10-(trideuteriomethyl)-1H-acridine-9-carboxylic acid.
What is the SMILES notation for 10-(trideuteriomethyl)-1H-acridine-9-carboxylic acid?
The canonical SMILES for 10-(trideuteriomethyl)-1H-acridine-9-carboxylic acid is [2H]C([2H])([2H])N1C2=CC=CCC2=C(C(=O)O)c2ccccc21.
What is the InChIKey of 10-(trideuteriomethyl)-1H-acridine-9-carboxylic acid?
The InChIKey is GQQVQAQSZCNEKW-FIBGUPNXSA-N. The full InChI is InChI=1S/C15H13NO2/c1-16-12-8-4-2-6-10(12)14(15(17)18)11-7-3-5-9-13(11)16/h2-6,8-9H,7H2,1H3,(H,17,18)/i1D3.
What are the key properties of 10-(trideuteriomethyl)-1H-acridine-9-carboxylic acid?
10-(trideuteriomethyl)-1H-acridine-9-carboxylic acid has a molecular weight of 242.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(trideuteriomethyl)-1H-acridine-9-carboxylic acid is sourced from PubChem (CID 90690422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).