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

C133H90Cl2F12N12O9 — CID 159007440

IUPAC6-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
SMILESCOc1ccc2c(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.COc1ccc2nc3cc(C(F)(F)F)ccc3cc2c1.COc1ccc2nc3cc(Cl)ccc3cc2c1.COc1ccc2nc3cc(F)ccc3cc2c1
InChIInChI=1S/C16H9F3N2O.C15H9ClN2O.2C15H10F3NO.C15H9FN2O.C15H13NO.C14H10ClNO.2C14H10FNO/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;1-20-12-4-5-13-10(7-12)6-9-2-3-11(15(16,17)18)8-14(9)19-13;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;1-17-12-4-5-13-10(7-12)6-9-2-3-11(15)8-14(9)16-13;1-17-12-5-3-10-6-9-2-4-11(15)7-13(9)16-14(10)8-12;1-17-12-4-5-13-10(7-12)6-9-2-3-11(15)8-14(9)16-13/h2-7H,1H3;2-7H,1H3;2*2-8H,1H3;2-7H,1H3;3-9H,1-2H3;3*2-8H,1H3
InChIKeyJSCCQEKTVBINPJ-UHFFFAOYSA-N
MW2299.14 g/mol
LogP35.27
Rot. Bonds9

About 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

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 (PubChem CID 159007440) has the molecular formula C133H90Cl2F12N12O9 and a molecular weight of 2299.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID159007440
Molecular FormulaC133H90Cl2F12N12O9
Molecular Weight2299.14 g/mol
Exact Mass2296.61
IUPAC Name6-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
SMILESCOc1ccc2c(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.COc1ccc2nc3cc(C(F)(F)F)ccc3cc2c1.COc1ccc2nc3cc(Cl)ccc3cc2c1.COc1ccc2nc3cc(F)ccc3cc2c1
InChIInChI=1S/C16H9F3N2O.C15H9ClN2O.2C15H10F3NO.C15H9FN2O.C15H13NO.C14H10ClNO.2C14H10FNO/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;1-20-12-4-5-13-10(7-12)6-9-2-3-11(15(16,17)18)8-14(9)19-13;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;1-17-12-4-5-13-10(7-12)6-9-2-3-11(15)8-14(9)16-13;1-17-12-5-3-10-6-9-2-4-11(15)7-13(9)16-14(10)8-12;1-17-12-4-5-13-10(7-12)6-9-2-3-11(15)8-14(9)16-13/h2-7H,1H3;2-7H,1H3;2*2-8H,1H3;2-7H,1H3;3-9H,1-2H3;3*2-8H,1H3
InChIKeyJSCCQEKTVBINPJ-UHFFFAOYSA-N
XLogP35.27
TPSA270.45 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds9
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002299.14
LogP ≤ 535.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
2,4-Dichloro-6-fluoro-7-methoxyquinoline;4,6-difluoro-2,7-dimethoxyquinoline;4-fluoro-3-methoxyaniline;2,4,6-trifluoro-7-methoxyquinoline
CID 157087230
2-(2,3-Dimethylphenyl)-7-ethyl-5-methoxyquinoline;2-(2,3-dimethylphenyl)-7-ethyl-6-methoxyquinoline;2-(2,4-dimethylphenyl)-7-ethyl-5-methoxyquinoline;2-(2,4-dimethylphenyl)-7-ethyl-6-methoxyquinoline;2-(2,5-dimethylphenyl)-7-ethyl-5-methoxyquinoline;2-(2,5-dimethylphenyl)-7-ethyl-6-methoxyquinoline;2-(3,4-dimethylphenyl)-7-ethyl-6-methoxyquinoline;2-(3,5-dimethylphenyl)-7-ethyl-6-methoxyquinoline;7-ethyl-5-methoxy-2-(3-methoxyphenyl)quinoline;7-ethyl-6-methoxy-2-(3-methylphenyl)quinoline;7-ethyl-5-methoxy-2-(2,4,5-trimethylphenyl)quinoline;7-ethyl-6-methoxy-2-(2,4,5-trimethylphenyl)quinoline
CID 159732871
N'-butyl-N-(6-chloro-2-methoxyacridin-9-yl)-N'-methylpentane-1,5-diamine;N-butyl-N'-(6-chloro-2-methoxyacridin-9-yl)pentane-1,5-diamine;bis(6-chloro-N-decyl-2-methoxyacridin-9-amine);bis(2-methoxy-6-methyl-N-pentylacridin-9-amine);bis(2-methoxy-6-methyl-N-propylacridin-9-amine)
CID 161428502
2-(2,4-Dimethylphenyl)-4-methoxy-7-methylquinoline;2-(2,4-dimethylphenyl)-7-methoxy-4-methylquinoline;2-(3,5-dimethylphenyl)-4-methoxy-7-methylquinoline;2-(3,5-dimethylphenyl)-7-methoxy-4-methylquinoline;4,7-dimethyl-2-(2,4,5-trimethylphenyl)quinoline;4,7-dimethyl-2-(3,4,5-trimethylphenyl)quinoline;4-methoxy-2-(3-methoxy-5-methylphenyl)-7-methylquinoline;7-methoxy-2-(3-methoxy-5-methylphenyl)-4-methylquinoline;4-methoxy-7-methyl-2-(3-methylphenyl)quinoline;7-methoxy-4-methyl-2-(3-methylphenyl)quinoline
CID 161728885

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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.COc1ccc2nc3cc(C(F)(F)F)ccc3cc2c1.COc1ccc2nc3cc(Cl)ccc3cc2c1.COc1ccc2nc3cc(F)ccc3cc2c1.
What is the InChIKey of 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?
The InChIKey is JSCCQEKTVBINPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O.C15H9ClN2O.2C15H10F3NO.C15H9FN2O.C15H13NO.C14H10ClNO.2C14H10FNO/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;1-20-12-4-5-13-10(7-12)6-9-2-3-11(15(16,17)18)8-14(9)19-13;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;1-17-12-4-5-13-10(7-12)6-9-2-3-11(15)8-14(9)16-13;1-17-12-5-3-10-6-9-2-4-11(15)7-13(9)16-14(10)8-12;1-17-12-4-5-13-10(7-12)6-9-2-3-11(15)8-14(9)16-13/h2-7H,1H3;2-7H,1H3;2*2-8H,1H3;2-7H,1H3;3-9H,1-2H3;3*2-8H,1H3.
What are the key properties of 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?
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 has a molecular weight of 2299.14 g/mol, XLogP of 35.27, 9 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159007440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).