1-(4-fluorophenyl)acridine-9-carboxylic acid

C20H12FNO2 — CID 90871706

IUPAC1-(4-fluorophenyl)acridine-9-carboxylic acid
SMILESO=C(O)c1c2ccccc2nc2cccc(-c3ccc(F)cc3)c12
InChIInChI=1S/C20H12FNO2/c21-13-10-8-12(9-11-13)14-5-3-7-17-18(14)19(20(23)24)15-4-1-2-6-16(15)22-17/h1-11H,(H,23,24)
InChIKeyAEVQGYDQGHGOCM-UHFFFAOYSA-N
MW317.32 g/mol
LogP4.89
Rot. Bonds2

About 1-(4-fluorophenyl)acridine-9-carboxylic acid

1-(4-fluorophenyl)acridine-9-carboxylic acid (PubChem CID 90871706) has the molecular formula C20H12FNO2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)acridine-9-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)acridine-9-carboxylic acid
PubChem CID90871706
Molecular FormulaC20H12FNO2
Molecular Weight317.32 g/mol
Exact Mass317.09
IUPAC Name1-(4-fluorophenyl)acridine-9-carboxylic acid
SMILESO=C(O)c1c2ccccc2nc2cccc(-c3ccc(F)cc3)c12
InChIInChI=1S/C20H12FNO2/c21-13-10-8-12(9-11-13)14-5-3-7-17-18(14)19(20(23)24)15-4-1-2-6-16(15)22-17/h1-11H,(H,23,24)
InChIKeyAEVQGYDQGHGOCM-UHFFFAOYSA-N
XLogP4.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 54.89
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-(4-fluorophenyl)acridine-9-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)acridine-9-carboxylic acid (CID 90871706) is 1-(4-fluorophenyl)acridine-9-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)acridine-9-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)acridine-9-carboxylic acid is O=C(O)c1c2ccccc2nc2cccc(-c3ccc(F)cc3)c12.
What is the InChIKey of 1-(4-fluorophenyl)acridine-9-carboxylic acid?
The InChIKey is AEVQGYDQGHGOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FNO2/c21-13-10-8-12(9-11-13)14-5-3-7-17-18(14)19(20(23)24)15-4-1-2-6-16(15)22-17/h1-11H,(H,23,24).
What are the key properties of 1-(4-fluorophenyl)acridine-9-carboxylic acid?
1-(4-fluorophenyl)acridine-9-carboxylic acid has a molecular weight of 317.32 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)acridine-9-carboxylic acid is sourced from PubChem (CID 90871706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).