9-(4-fluorophenyl)-1,8-dimethoxy-10-methyl-9H-acridine

C22H20FNO2 — CID 154630847

IUPAC9-(4-fluorophenyl)-1,8-dimethoxy-10-methyl-9H-acridine
SMILESCOc1cccc2c1C(c1ccc(F)cc1)c1c(OC)cccc1N2C
InChIInChI=1S/C22H20FNO2/c1-24-16-6-4-8-18(25-2)21(16)20(14-10-12-15(23)13-11-14)22-17(24)7-5-9-19(22)26-3/h4-13,20H,1-3H3
InChIKeyOQKRGBCBUPDETK-UHFFFAOYSA-N
MW349.41 g/mol
LogP5.10
Rot. Bonds3

About 9-(4-fluorophenyl)-1,8-dimethoxy-10-methyl-9H-acridine

9-(4-fluorophenyl)-1,8-dimethoxy-10-methyl-9H-acridine (PubChem CID 154630847) has the molecular formula C22H20FNO2 and a molecular weight of 349.41 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-1,8-dimethoxy-10-methyl-9H-acridine.

Molecular Properties

Compound Name9-(4-fluorophenyl)-1,8-dimethoxy-10-methyl-9H-acridine
PubChem CID154630847
Molecular FormulaC22H20FNO2
Molecular Weight349.41 g/mol
Exact Mass349.15
IUPAC Name9-(4-fluorophenyl)-1,8-dimethoxy-10-methyl-9H-acridine
SMILESCOc1cccc2c1C(c1ccc(F)cc1)c1c(OC)cccc1N2C
InChIInChI=1S/C22H20FNO2/c1-24-16-6-4-8-18(25-2)21(16)20(14-10-12-15(23)13-11-14)22-17(24)7-5-9-19(22)26-3/h4-13,20H,1-3H3
InChIKeyOQKRGBCBUPDETK-UHFFFAOYSA-N
XLogP5.10
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.41
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-1,8-dimethoxy-10-methyl-9H-acridine?
The IUPAC name of 9-(4-fluorophenyl)-1,8-dimethoxy-10-methyl-9H-acridine (CID 154630847) is 9-(4-fluorophenyl)-1,8-dimethoxy-10-methyl-9H-acridine.
What is the SMILES notation for 9-(4-fluorophenyl)-1,8-dimethoxy-10-methyl-9H-acridine?
The canonical SMILES for 9-(4-fluorophenyl)-1,8-dimethoxy-10-methyl-9H-acridine is COc1cccc2c1C(c1ccc(F)cc1)c1c(OC)cccc1N2C.
What is the InChIKey of 9-(4-fluorophenyl)-1,8-dimethoxy-10-methyl-9H-acridine?
The InChIKey is OQKRGBCBUPDETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO2/c1-24-16-6-4-8-18(25-2)21(16)20(14-10-12-15(23)13-11-14)22-17(24)7-5-9-19(22)26-3/h4-13,20H,1-3H3.
What are the key properties of 9-(4-fluorophenyl)-1,8-dimethoxy-10-methyl-9H-acridine?
9-(4-fluorophenyl)-1,8-dimethoxy-10-methyl-9H-acridine has a molecular weight of 349.41 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-1,8-dimethoxy-10-methyl-9H-acridine is sourced from PubChem (CID 154630847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).