3-chloro-6-methoxyacridine-9-carbonitrile;3-fluoro-6-methoxyacridine;3-fluoro-6-methoxyacridine-9-carbonitrile;3-methoxy-6-methylacridine;3-methoxy-6-(trifluoromethyl)acridine;3-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile

C90H60ClF8N9O6 — CID 160733083

About 3-chloro-6-methoxyacridine-9-carbonitrile;3-fluoro-6-methoxyacridine;3-fluoro-6-methoxyacridine-9-carbonitrile;3-methoxy-6-methylacridine;3-methoxy-6-(trifluoromethyl)acridine;3-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile

3-chloro-6-methoxyacridine-9-carbonitrile;3-fluoro-6-methoxyacridine;3-fluoro-6-methoxyacridine-9-carbonitrile;3-methoxy-6-methylacridine;3-methoxy-6-(trifluoromethyl)acridine;3-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile (PubChem CID 160733083) has the molecular formula C90H60ClF8N9O6 and a molecular weight of 1550.96 g/mol. Its IUPAC name is 3-chloro-6-methoxyacridine-9-carbonitrile;3-fluoro-6-methoxyacridine;3-fluoro-6-methoxyacridine-9-carbonitrile;3-methoxy-6-methylacridine;3-methoxy-6-(trifluoromethyl)acridine;3-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile.

Molecular Properties

• Compound Name: 3-chloro-6-methoxyacridine-9-carbonitrile;3-fluoro-6-methoxyacridine;3-fluoro-6-methoxyacridine-9-carbonitrile;3-methoxy-6-methylacridine;3-methoxy-6-(trifluoromethyl)acridine;3-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile
• PubChem CID: 160733083
• Molecular Formula: C90H60ClF8N9O6
• Molecular Weight: 1550.96 g/mol
• Exact Mass: 1549.42
• IUPAC Name: 3-chloro-6-methoxyacridine-9-carbonitrile;3-fluoro-6-methoxyacridine;3-fluoro-6-methoxyacridine-9-carbonitrile;3-methoxy-6-methylacridine;3-methoxy-6-(trifluoromethyl)acridine;3-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile
• SMILES: COc1ccc2c(C#N)c3ccc(C(F)(F)F)cc3nc2c1.COc1ccc2c(C#N)c3ccc(Cl)cc3nc2c1.COc1ccc2c(C#N)c3ccc(F)cc3nc2c1.COc1ccc2cc3ccc(C(F)(F)F)cc3nc2c1.COc1ccc2cc3ccc(C)cc3nc2c1.COc1ccc2cc3ccc(F)cc3nc2c1
• InChI: InChI=1S/C16H9F3N2O.C15H9ClN2O.C15H10F3NO.C15H9FN2O.C15H13NO.C14H10FNO/c1-22-10-3-5-12-13(8-20)11-4-2-9(16(17,18)19)6-14(11)21-15(12)7-10;1-19-10-3-5-12-13(8-17)11-4-2-9(16)6-14(11)18-15(12)7-10;1-20-12-5-3-10-6-9-2-4-11(15(16,17)18)7-13(9)19-14(10)8-12;1-19-10-3-5-12-13(8-17)11-4-2-9(16)6-14(11)18-15(12)7-10;1-10-3-4-11-8-12-5-6-13(17-2)9-15(12)16-14(11)7-10;1-17-12-5-3-10-6-9-2-4-11(15)7-13(9)16-14(10)8-12/h2-7H,1H3;2-7H,1H3;2-8H,1H3;2-7H,1H3;3-9H,1-2H3;2-8H,1H3
• InChIKey: RUPDPCSKZSHXGA-UHFFFAOYSA-N
• XLogP: 23.27
• TPSA: 204.09 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1550.96
LogP ≤ 5	23.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxyacridine-9-carbonitrile;3-fluoro-6-methoxyacridine;3-fluoro-6-methoxyacridine-9-carbonitrile;3-methoxy-6-methylacridine;3-methoxy-6-(trifluoromethyl)acridine;3-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile?

The IUPAC name of 3-chloro-6-methoxyacridine-9-carbonitrile;3-fluoro-6-methoxyacridine;3-fluoro-6-methoxyacridine-9-carbonitrile;3-methoxy-6-methylacridine;3-methoxy-6-(trifluoromethyl)acridine;3-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile (CID 160733083) is 3-chloro-6-methoxyacridine-9-carbonitrile;3-fluoro-6-methoxyacridine;3-fluoro-6-methoxyacridine-9-carbonitrile;3-methoxy-6-methylacridine;3-methoxy-6-(trifluoromethyl)acridine;3-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile.

What is the SMILES notation for 3-chloro-6-methoxyacridine-9-carbonitrile;3-fluoro-6-methoxyacridine;3-fluoro-6-methoxyacridine-9-carbonitrile;3-methoxy-6-methylacridine;3-methoxy-6-(trifluoromethyl)acridine;3-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile?

The canonical SMILES for 3-chloro-6-methoxyacridine-9-carbonitrile;3-fluoro-6-methoxyacridine;3-fluoro-6-methoxyacridine-9-carbonitrile;3-methoxy-6-methylacridine;3-methoxy-6-(trifluoromethyl)acridine;3-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile is COc1ccc2c(C#N)c3ccc(C(F)(F)F)cc3nc2c1.COc1ccc2c(C#N)c3ccc(Cl)cc3nc2c1.COc1ccc2c(C#N)c3ccc(F)cc3nc2c1.COc1ccc2cc3ccc(C(F)(F)F)cc3nc2c1.COc1ccc2cc3ccc(C)cc3nc2c1.COc1ccc2cc3ccc(F)cc3nc2c1.

What is the InChIKey of 3-chloro-6-methoxyacridine-9-carbonitrile;3-fluoro-6-methoxyacridine;3-fluoro-6-methoxyacridine-9-carbonitrile;3-methoxy-6-methylacridine;3-methoxy-6-(trifluoromethyl)acridine;3-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile?

The InChIKey is RUPDPCSKZSHXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O.C15H9ClN2O.C15H10F3NO.C15H9FN2O.C15H13NO.C14H10FNO/c1-22-10-3-5-12-13(8-20)11-4-2-9(16(17,18)19)6-14(11)21-15(12)7-10;1-19-10-3-5-12-13(8-17)11-4-2-9(16)6-14(11)18-15(12)7-10;1-20-12-5-3-10-6-9-2-4-11(15(16,17)18)7-13(9)19-14(10)8-12;1-19-10-3-5-12-13(8-17)11-4-2-9(16)6-14(11)18-15(12)7-10;1-10-3-4-11-8-12-5-6-13(17-2)9-15(12)16-14(11)7-10;1-17-12-5-3-10-6-9-2-4-11(15)7-13(9)16-14(10)8-12/h2-7H,1H3;2-7H,1H3;2-8H,1H3;2-7H,1H3;3-9H,1-2H3;2-8H,1H3.

What are the key properties of 3-chloro-6-methoxyacridine-9-carbonitrile;3-fluoro-6-methoxyacridine;3-fluoro-6-methoxyacridine-9-carbonitrile;3-methoxy-6-methylacridine;3-methoxy-6-(trifluoromethyl)acridine;3-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile?

3-chloro-6-methoxyacridine-9-carbonitrile;3-fluoro-6-methoxyacridine;3-fluoro-6-methoxyacridine-9-carbonitrile;3-methoxy-6-methylacridine;3-methoxy-6-(trifluoromethyl)acridine;3-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile has a molecular weight of 1550.96 g/mol, XLogP of 23.27, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-6-methoxyacridine-9-carbonitrile;3-fluoro-6-methoxyacridine;3-fluoro-6-methoxyacridine-9-carbonitrile;3-methoxy-6-methylacridine;3-methoxy-6-(trifluoromethyl)acridine;3-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile is sourced from PubChem (CID 160733083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).