6-chloro-2,3-dimethoxyacridine;6-chloro-2,3-dimethoxyacridine-9-carbonitrile;6-chloro-2-methoxyacridine-9-carbonitrile;2,3-dimethoxy-6-(trifluoromethyl)acridine;2,3-dimethoxy-6-(trifluoromethyl)acridine-9-carbonitrile;6-fluoro-2,3-dimethoxyacridine;6-fluoro-2,3-dimethoxyacridine-9-carbonitrile;6-fluoro-2-methoxyacridine-9-carbonitrile;2-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile

C141H96Cl3F12N15O15 — CID 158302335

IUPAC6-chloro-2,3-dimethoxyacridine;6-chloro-2,3-dimethoxyacridine-9-carbonitrile;6-chloro-2-methoxyacridine-9-carbonitrile;2,3-dimethoxy-6-(trifluoromethyl)acridine;2,3-dimethoxy-6-(trifluoromethyl)acridine-9-carbonitrile;6-fluoro-2,3-dimethoxyacridine;6-fluoro-2,3-dimethoxyacridine-9-carbonitrile;6-fluoro-2-methoxyacridine-9-carbonitrile;2-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile
SMILESCOc1cc2cc3ccc(C(F)(F)F)cc3nc2cc1OC.COc1cc2cc3ccc(Cl)cc3nc2cc1OC.COc1cc2cc3ccc(F)cc3nc2cc1OC.COc1cc2nc3cc(C(F)(F)F)ccc3c(C#N)c2cc1OC.COc1cc2nc3cc(Cl)ccc3c(C#N)c2cc1OC.COc1cc2nc3cc(F)ccc3c(C#N)c2cc1OC.COc1ccc2nc3cc(C(F)(F)F)ccc3c(C#N)c2c1.COc1ccc2nc3cc(Cl)ccc3c(C#N)c2c1.COc1ccc2nc3cc(F)ccc3c(C#N)c2c1
InChIInChI=1S/C17H11F3N2O2.C16H11ClN2O2.C16H9F3N2O.C16H12F3NO2.C16H11FN2O2.C15H9ClN2O.C15H12ClNO2.C15H9FN2O.C15H12FNO2/c1-23-15-6-11-12(8-21)10-4-3-9(17(18,19)20)5-13(10)22-14(11)7-16(15)24-2;1-20-15-6-11-12(8-18)10-4-3-9(17)5-13(10)19-14(11)7-16(15)21-2;1-22-10-3-5-14-12(7-10)13(8-20)11-4-2-9(16(17,18)19)6-15(11)21-14;1-21-14-6-10-5-9-3-4-11(16(17,18)19)7-12(9)20-13(10)8-15(14)22-2;1-20-15-6-11-12(8-18)10-4-3-9(17)5-13(10)19-14(11)7-16(15)21-2;1-19-10-3-5-14-12(7-10)13(8-17)11-4-2-9(16)6-15(11)18-14;1-18-14-6-10-5-9-3-4-11(16)7-12(9)17-13(10)8-15(14)19-2;1-19-10-3-5-14-12(7-10)13(8-17)11-4-2-9(16)6-15(11)18-14;1-18-14-6-10-5-9-3-4-11(16)7-12(9)17-13(10)8-15(14)19-2/h3-7H,1-2H3;3-7H,1-2H3;2-7H,1H3;3-8H,1-2H3;3-7H,1-2H3;2-7H,1H3;3-8H,1-2H3;2-7H,1H3;3-8H,1-2H3
InChIKeyGMQKXSOXNAMTFA-UHFFFAOYSA-N
MW2574.74 g/mol
LogP35.28
Rot. Bonds15

About 6-chloro-2,3-dimethoxyacridine;6-chloro-2,3-dimethoxyacridine-9-carbonitrile;6-chloro-2-methoxyacridine-9-carbonitrile;2,3-dimethoxy-6-(trifluoromethyl)acridine;2,3-dimethoxy-6-(trifluoromethyl)acridine-9-carbonitrile;6-fluoro-2,3-dimethoxyacridine;6-fluoro-2,3-dimethoxyacridine-9-carbonitrile;6-fluoro-2-methoxyacridine-9-carbonitrile;2-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile

6-chloro-2,3-dimethoxyacridine;6-chloro-2,3-dimethoxyacridine-9-carbonitrile;6-chloro-2-methoxyacridine-9-carbonitrile;2,3-dimethoxy-6-(trifluoromethyl)acridine;2,3-dimethoxy-6-(trifluoromethyl)acridine-9-carbonitrile;6-fluoro-2,3-dimethoxyacridine;6-fluoro-2,3-dimethoxyacridine-9-carbonitrile;6-fluoro-2-methoxyacridine-9-carbonitrile;2-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile (PubChem CID 158302335) has the molecular formula C141H96Cl3F12N15O15 and a molecular weight of 2574.74 g/mol. Its IUPAC name is 6-chloro-2,3-dimethoxyacridine;6-chloro-2,3-dimethoxyacridine-9-carbonitrile;6-chloro-2-methoxyacridine-9-carbonitrile;2,3-dimethoxy-6-(trifluoromethyl)acridine;2,3-dimethoxy-6-(trifluoromethyl)acridine-9-carbonitrile;6-fluoro-2,3-dimethoxyacridine;6-fluoro-2,3-dimethoxyacridine-9-carbonitrile;6-fluoro-2-methoxyacridine-9-carbonitrile;2-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile.

Molecular Properties

Compound Name6-chloro-2,3-dimethoxyacridine;6-chloro-2,3-dimethoxyacridine-9-carbonitrile;6-chloro-2-methoxyacridine-9-carbonitrile;2,3-dimethoxy-6-(trifluoromethyl)acridine;2,3-dimethoxy-6-(trifluoromethyl)acridine-9-carbonitrile;6-fluoro-2,3-dimethoxyacridine;6-fluoro-2,3-dimethoxyacridine-9-carbonitrile;6-fluoro-2-methoxyacridine-9-carbonitrile;2-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile
PubChem CID158302335
Molecular FormulaC141H96Cl3F12N15O15
Molecular Weight2574.74 g/mol
Exact Mass2571.61
IUPAC Name6-chloro-2,3-dimethoxyacridine;6-chloro-2,3-dimethoxyacridine-9-carbonitrile;6-chloro-2-methoxyacridine-9-carbonitrile;2,3-dimethoxy-6-(trifluoromethyl)acridine;2,3-dimethoxy-6-(trifluoromethyl)acridine-9-carbonitrile;6-fluoro-2,3-dimethoxyacridine;6-fluoro-2,3-dimethoxyacridine-9-carbonitrile;6-fluoro-2-methoxyacridine-9-carbonitrile;2-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile
SMILESCOc1cc2cc3ccc(C(F)(F)F)cc3nc2cc1OC.COc1cc2cc3ccc(Cl)cc3nc2cc1OC.COc1cc2cc3ccc(F)cc3nc2cc1OC.COc1cc2nc3cc(C(F)(F)F)ccc3c(C#N)c2cc1OC.COc1cc2nc3cc(Cl)ccc3c(C#N)c2cc1OC.COc1cc2nc3cc(F)ccc3c(C#N)c2cc1OC.COc1ccc2nc3cc(C(F)(F)F)ccc3c(C#N)c2c1.COc1ccc2nc3cc(Cl)ccc3c(C#N)c2c1.COc1ccc2nc3cc(F)ccc3c(C#N)c2c1
InChIInChI=1S/C17H11F3N2O2.C16H11ClN2O2.C16H9F3N2O.C16H12F3NO2.C16H11FN2O2.C15H9ClN2O.C15H12ClNO2.C15H9FN2O.C15H12FNO2/c1-23-15-6-11-12(8-21)10-4-3-9(17(18,19)20)5-13(10)22-14(11)7-16(15)24-2;1-20-15-6-11-12(8-18)10-4-3-9(17)5-13(10)19-14(11)7-16(15)21-2;1-22-10-3-5-14-12(7-10)13(8-20)11-4-2-9(16(17,18)19)6-15(11)21-14;1-21-14-6-10-5-9-3-4-11(16(17,18)19)7-12(9)20-13(10)8-15(14)22-2;1-20-15-6-11-12(8-18)10-4-3-9(17)5-13(10)19-14(11)7-16(15)21-2;1-19-10-3-5-14-12(7-10)13(8-17)11-4-2-9(16)6-15(11)18-14;1-18-14-6-10-5-9-3-4-11(16)7-12(9)17-13(10)8-15(14)19-2;1-19-10-3-5-14-12(7-10)13(8-17)11-4-2-9(16)6-15(11)18-14;1-18-14-6-10-5-9-3-4-11(16)7-12(9)17-13(10)8-15(14)19-2/h3-7H,1-2H3;3-7H,1-2H3;2-7H,1H3;3-8H,1-2H3;3-7H,1-2H3;2-7H,1H3;3-8H,1-2H3;2-7H,1H3;3-8H,1-2H3
InChIKeyGMQKXSOXNAMTFA-UHFFFAOYSA-N
XLogP35.28
TPSA397.20 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds15
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002574.74
LogP ≤ 535.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 6-chloro-2,3-dimethoxyacridine;6-chloro-2,3-dimethoxyacridine-9-carbonitrile;6-chloro-2-methoxyacridine-9-carbonitrile;2,3-dimethoxy-6-(trifluoromethyl)acridine;2,3-dimethoxy-6-(trifluoromethyl)acridine-9-carbonitrile;6-fluoro-2,3-dimethoxyacridine;6-fluoro-2,3-dimethoxyacridine-9-carbonitrile;6-fluoro-2-methoxyacridine-9-carbonitrile;2-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile with MolForge

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Related Compounds

6-Chloro-2-methoxyacridine;3-chloro-6-methoxyacridine-9-carbonitrile;3-fluoro-6-methoxyacridine;6-fluoro-2-methoxyacridine;3-fluoro-6-methoxyacridine-9-carbonitrile;3-methoxy-6-methylacridine;2-methoxy-6-(trifluoromethyl)acridine;3-methoxy-6-(trifluoromethyl)acridine;3-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile
CID 159007440
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
6-Chloro-2,3-dimethoxyacridine-9-carbonitrile
CID 54767546
2-(2,3-Dimethylphenyl)-7-ethyl-5,6-dimethoxyquinoline;2-(2,4-dimethylphenyl)-7-ethyl-5,6-dimethoxyquinoline;2-(2,5-dimethylphenyl)-7-ethyl-5,6-dimethoxyquinoline;2-(3,4-dimethylphenyl)-7-ethyl-5,6-dimethoxyquinoline;2-(3,5-dimethylphenyl)-7-ethyl-5,6-dimethoxyquinoline;7-ethyl-5,6-dimethoxy-2-(3-methylphenyl)quinoline;7-ethyl-5,6-dimethoxy-2-(2,4,5-trimethylphenyl)quinoline;7-ethyl-6-methoxy-2-(3-methoxyphenyl)quinoline
CID 161069552

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dimethoxyacridine;6-chloro-2,3-dimethoxyacridine-9-carbonitrile;6-chloro-2-methoxyacridine-9-carbonitrile;2,3-dimethoxy-6-(trifluoromethyl)acridine;2,3-dimethoxy-6-(trifluoromethyl)acridine-9-carbonitrile;6-fluoro-2,3-dimethoxyacridine;6-fluoro-2,3-dimethoxyacridine-9-carbonitrile;6-fluoro-2-methoxyacridine-9-carbonitrile;2-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile?
The IUPAC name of 6-chloro-2,3-dimethoxyacridine;6-chloro-2,3-dimethoxyacridine-9-carbonitrile;6-chloro-2-methoxyacridine-9-carbonitrile;2,3-dimethoxy-6-(trifluoromethyl)acridine;2,3-dimethoxy-6-(trifluoromethyl)acridine-9-carbonitrile;6-fluoro-2,3-dimethoxyacridine;6-fluoro-2,3-dimethoxyacridine-9-carbonitrile;6-fluoro-2-methoxyacridine-9-carbonitrile;2-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile (CID 158302335) is 6-chloro-2,3-dimethoxyacridine;6-chloro-2,3-dimethoxyacridine-9-carbonitrile;6-chloro-2-methoxyacridine-9-carbonitrile;2,3-dimethoxy-6-(trifluoromethyl)acridine;2,3-dimethoxy-6-(trifluoromethyl)acridine-9-carbonitrile;6-fluoro-2,3-dimethoxyacridine;6-fluoro-2,3-dimethoxyacridine-9-carbonitrile;6-fluoro-2-methoxyacridine-9-carbonitrile;2-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile.
What is the SMILES notation for 6-chloro-2,3-dimethoxyacridine;6-chloro-2,3-dimethoxyacridine-9-carbonitrile;6-chloro-2-methoxyacridine-9-carbonitrile;2,3-dimethoxy-6-(trifluoromethyl)acridine;2,3-dimethoxy-6-(trifluoromethyl)acridine-9-carbonitrile;6-fluoro-2,3-dimethoxyacridine;6-fluoro-2,3-dimethoxyacridine-9-carbonitrile;6-fluoro-2-methoxyacridine-9-carbonitrile;2-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile?
The canonical SMILES for 6-chloro-2,3-dimethoxyacridine;6-chloro-2,3-dimethoxyacridine-9-carbonitrile;6-chloro-2-methoxyacridine-9-carbonitrile;2,3-dimethoxy-6-(trifluoromethyl)acridine;2,3-dimethoxy-6-(trifluoromethyl)acridine-9-carbonitrile;6-fluoro-2,3-dimethoxyacridine;6-fluoro-2,3-dimethoxyacridine-9-carbonitrile;6-fluoro-2-methoxyacridine-9-carbonitrile;2-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile is COc1cc2cc3ccc(C(F)(F)F)cc3nc2cc1OC.COc1cc2cc3ccc(Cl)cc3nc2cc1OC.COc1cc2cc3ccc(F)cc3nc2cc1OC.COc1cc2nc3cc(C(F)(F)F)ccc3c(C#N)c2cc1OC.COc1cc2nc3cc(Cl)ccc3c(C#N)c2cc1OC.COc1cc2nc3cc(F)ccc3c(C#N)c2cc1OC.COc1ccc2nc3cc(C(F)(F)F)ccc3c(C#N)c2c1.COc1ccc2nc3cc(Cl)ccc3c(C#N)c2c1.COc1ccc2nc3cc(F)ccc3c(C#N)c2c1.
What is the InChIKey of 6-chloro-2,3-dimethoxyacridine;6-chloro-2,3-dimethoxyacridine-9-carbonitrile;6-chloro-2-methoxyacridine-9-carbonitrile;2,3-dimethoxy-6-(trifluoromethyl)acridine;2,3-dimethoxy-6-(trifluoromethyl)acridine-9-carbonitrile;6-fluoro-2,3-dimethoxyacridine;6-fluoro-2,3-dimethoxyacridine-9-carbonitrile;6-fluoro-2-methoxyacridine-9-carbonitrile;2-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile?
The InChIKey is GMQKXSOXNAMTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2.C16H11ClN2O2.C16H9F3N2O.C16H12F3NO2.C16H11FN2O2.C15H9ClN2O.C15H12ClNO2.C15H9FN2O.C15H12FNO2/c1-23-15-6-11-12(8-21)10-4-3-9(17(18,19)20)5-13(10)22-14(11)7-16(15)24-2;1-20-15-6-11-12(8-18)10-4-3-9(17)5-13(10)19-14(11)7-16(15)21-2;1-22-10-3-5-14-12(7-10)13(8-20)11-4-2-9(16(17,18)19)6-15(11)21-14;1-21-14-6-10-5-9-3-4-11(16(17,18)19)7-12(9)20-13(10)8-15(14)22-2;1-20-15-6-11-12(8-18)10-4-3-9(17)5-13(10)19-14(11)7-16(15)21-2;1-19-10-3-5-14-12(7-10)13(8-17)11-4-2-9(16)6-15(11)18-14;1-18-14-6-10-5-9-3-4-11(16)7-12(9)17-13(10)8-15(14)19-2;1-19-10-3-5-14-12(7-10)13(8-17)11-4-2-9(16)6-15(11)18-14;1-18-14-6-10-5-9-3-4-11(16)7-12(9)17-13(10)8-15(14)19-2/h3-7H,1-2H3;3-7H,1-2H3;2-7H,1H3;3-8H,1-2H3;3-7H,1-2H3;2-7H,1H3;3-8H,1-2H3;2-7H,1H3;3-8H,1-2H3.
What are the key properties of 6-chloro-2,3-dimethoxyacridine;6-chloro-2,3-dimethoxyacridine-9-carbonitrile;6-chloro-2-methoxyacridine-9-carbonitrile;2,3-dimethoxy-6-(trifluoromethyl)acridine;2,3-dimethoxy-6-(trifluoromethyl)acridine-9-carbonitrile;6-fluoro-2,3-dimethoxyacridine;6-fluoro-2,3-dimethoxyacridine-9-carbonitrile;6-fluoro-2-methoxyacridine-9-carbonitrile;2-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile?
6-chloro-2,3-dimethoxyacridine;6-chloro-2,3-dimethoxyacridine-9-carbonitrile;6-chloro-2-methoxyacridine-9-carbonitrile;2,3-dimethoxy-6-(trifluoromethyl)acridine;2,3-dimethoxy-6-(trifluoromethyl)acridine-9-carbonitrile;6-fluoro-2,3-dimethoxyacridine;6-fluoro-2,3-dimethoxyacridine-9-carbonitrile;6-fluoro-2-methoxyacridine-9-carbonitrile;2-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile has a molecular weight of 2574.74 g/mol, XLogP of 35.28, 15 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dimethoxyacridine;6-chloro-2,3-dimethoxyacridine-9-carbonitrile;6-chloro-2-methoxyacridine-9-carbonitrile;2,3-dimethoxy-6-(trifluoromethyl)acridine;2,3-dimethoxy-6-(trifluoromethyl)acridine-9-carbonitrile;6-fluoro-2,3-dimethoxyacridine;6-fluoro-2,3-dimethoxyacridine-9-carbonitrile;6-fluoro-2-methoxyacridine-9-carbonitrile;2-methoxy-6-(trifluoromethyl)acridine-9-carbonitrile is sourced from PubChem (CID 158302335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).