(2-fluorophenyl) 10-methylacridin-10-ium-3-carboxylate

C21H15FNO2+ — CID 123616614

IUPAC(2-fluorophenyl) 10-methylacridin-10-ium-3-carboxylate
SMILESC[n+]1c2ccccc2cc2ccc(C(=O)Oc3ccccc3F)cc21
InChIInChI=1S/C21H15FNO2/c1-23-18-8-4-2-6-14(18)12-15-10-11-16(13-19(15)23)21(24)25-20-9-5-3-7-17(20)22/h2-13H,1H3/q+1
InChIKeyRIQVUPWWVNPAFW-UHFFFAOYSA-N
MW332.35 g/mol
LogP4.18
Rot. Bonds2

About (2-fluorophenyl) 10-methylacridin-10-ium-3-carboxylate

(2-fluorophenyl) 10-methylacridin-10-ium-3-carboxylate (PubChem CID 123616614) has the molecular formula C21H15FNO2+ and a molecular weight of 332.35 g/mol. Its IUPAC name is (2-fluorophenyl) 10-methylacridin-10-ium-3-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl) 10-methylacridin-10-ium-3-carboxylate
PubChem CID123616614
Molecular FormulaC21H15FNO2+
Molecular Weight332.35 g/mol
Exact Mass332.11
IUPAC Name(2-fluorophenyl) 10-methylacridin-10-ium-3-carboxylate
SMILESC[n+]1c2ccccc2cc2ccc(C(=O)Oc3ccccc3F)cc21
InChIInChI=1S/C21H15FNO2/c1-23-18-8-4-2-6-14(18)12-15-10-11-16(13-19(15)23)21(24)25-20-9-5-3-7-17(20)22/h2-13H,1H3/q+1
InChIKeyRIQVUPWWVNPAFW-UHFFFAOYSA-N
XLogP4.18
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (2-fluorophenyl) 10-methylacridin-10-ium-3-carboxylate 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

Eth 615
CID 131627
2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
6-Fluoro-2-[2-Methyl-4-Phenoxy-5-(Propan-2-Yl)phenyl]quinoline-4-Carboxylic Acid
CID 71816353
2,3-Dimethylphenyl 2-(4-methoxyphenyl)-4-quinolinecarboxylate
CID 1739332
4-Methoxy-5,6-dihydrobenzo[c]acridine-7-carboxylic acid
CID 5297786
2-(4-Propoxyphenyl)quinoline-4-carboxylic acid
CID 1913233
11-Methylchromeno[4,3-b]indol-6-one
CID 12287077
2-(6-Methoxynaphthalen-2-yl)quinoline-4-carboxylic acid
CID 5003862
2-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 5735793
4''-(2-Methyl-quinolin-4-yloxymethyl)-biphenyl-2-carboxylic acid
CID 10453972
4'-[(2-Ethylquinolin-4-yloxy)methyl]biphenyl-2-carboxylic acid
CID 10475047
4'-[(2-Propylquinolin-4-yloxy)methyl]biphenyl-2-carboxylic acid
CID 11741515

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 10-methylacridin-10-ium-3-carboxylate?
The IUPAC name of (2-fluorophenyl) 10-methylacridin-10-ium-3-carboxylate (CID 123616614) is (2-fluorophenyl) 10-methylacridin-10-ium-3-carboxylate.
What is the SMILES notation for (2-fluorophenyl) 10-methylacridin-10-ium-3-carboxylate?
The canonical SMILES for (2-fluorophenyl) 10-methylacridin-10-ium-3-carboxylate is C[n+]1c2ccccc2cc2ccc(C(=O)Oc3ccccc3F)cc21.
What is the InChIKey of (2-fluorophenyl) 10-methylacridin-10-ium-3-carboxylate?
The InChIKey is RIQVUPWWVNPAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FNO2/c1-23-18-8-4-2-6-14(18)12-15-10-11-16(13-19(15)23)21(24)25-20-9-5-3-7-17(20)22/h2-13H,1H3/q+1.
What are the key properties of (2-fluorophenyl) 10-methylacridin-10-ium-3-carboxylate?
(2-fluorophenyl) 10-methylacridin-10-ium-3-carboxylate has a molecular weight of 332.35 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 10-methylacridin-10-ium-3-carboxylate is sourced from PubChem (CID 123616614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).