2-chloro-9-methylacridine;3-fluoro-9-methylacridine;2-methoxy-4-methylquinoline;9-methylacridine;10-methylacridophosphine;9-methyl-10-oxidoacridin-10-ium;9-methyl-3-(trifluoromethyl)acridine;1,2,3,4,5,6,7,8,9-nonafluoroacridine

C109H74ClF13N7O2P — CID 159831974

IUPAC2-chloro-9-methylacridine;3-fluoro-9-methylacridine;2-methoxy-4-methylquinoline;9-methylacridine;10-methylacridophosphine;9-methyl-10-oxidoacridin-10-ium;9-methyl-3-(trifluoromethyl)acridine;1,2,3,4,5,6,7,8,9-nonafluoroacridine
SMILESCOc1cc(C)c2ccccc2n1.Cc1c2ccccc2[n+]([O-])c2ccccc12.Cc1c2ccccc2nc2cc(C(F)(F)F)ccc12.Cc1c2ccccc2nc2cc(F)ccc12.Cc1c2ccccc2nc2ccc(Cl)cc12.Cc1c2ccccc2nc2ccccc12.Cc1c2ccccc2pc2ccccc12.Fc1c(F)c(F)c2c(F)c3c(F)c(F)c(F)c(F)c3nc2c1F
InChIInChI=1S/C15H10F3N.C14H10ClN.C14H10FN.C14H11NO.C14H11N.C14H11P.C13F9N.C11H11NO/c1-9-11-4-2-3-5-13(11)19-14-8-10(15(16,17)18)6-7-12(9)14;1-9-11-4-2-3-5-13(11)16-14-7-6-10(15)8-12(9)14;1-9-11-4-2-3-5-13(11)16-14-8-10(15)6-7-12(9)14;1-10-11-6-2-4-8-13(11)15(16)14-9-5-3-7-12(10)14;2*1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;14-3-1-4(15)6(17)8(19)10(21)12(1)23-13-2(3)5(16)7(18)9(20)11(13)22;1-8-7-11(13-2)12-10-6-4-3-5-9(8)10/h2-8H,1H3;2*2-8H,1H3;2-9H,1H3;2*2-9H,1H3;;3-7H,1-2H3
InChIKeyNNONWFKHTDFZQT-UHFFFAOYSA-N
MW1827.24 g/mol
LogP31.61
Rot. Bonds1

About 2-chloro-9-methylacridine;3-fluoro-9-methylacridine;2-methoxy-4-methylquinoline;9-methylacridine;10-methylacridophosphine;9-methyl-10-oxidoacridin-10-ium;9-methyl-3-(trifluoromethyl)acridine;1,2,3,4,5,6,7,8,9-nonafluoroacridine

2-chloro-9-methylacridine;3-fluoro-9-methylacridine;2-methoxy-4-methylquinoline;9-methylacridine;10-methylacridophosphine;9-methyl-10-oxidoacridin-10-ium;9-methyl-3-(trifluoromethyl)acridine;1,2,3,4,5,6,7,8,9-nonafluoroacridine (PubChem CID 159831974) has the molecular formula C109H74ClF13N7O2P and a molecular weight of 1827.24 g/mol. Its IUPAC name is 2-chloro-9-methylacridine;3-fluoro-9-methylacridine;2-methoxy-4-methylquinoline;9-methylacridine;10-methylacridophosphine;9-methyl-10-oxidoacridin-10-ium;9-methyl-3-(trifluoromethyl)acridine;1,2,3,4,5,6,7,8,9-nonafluoroacridine.

Molecular Properties

Compound Name2-chloro-9-methylacridine;3-fluoro-9-methylacridine;2-methoxy-4-methylquinoline;9-methylacridine;10-methylacridophosphine;9-methyl-10-oxidoacridin-10-ium;9-methyl-3-(trifluoromethyl)acridine;1,2,3,4,5,6,7,8,9-nonafluoroacridine
PubChem CID159831974
Molecular FormulaC109H74ClF13N7O2P
Molecular Weight1827.24 g/mol
Exact Mass1825.51
IUPAC Name2-chloro-9-methylacridine;3-fluoro-9-methylacridine;2-methoxy-4-methylquinoline;9-methylacridine;10-methylacridophosphine;9-methyl-10-oxidoacridin-10-ium;9-methyl-3-(trifluoromethyl)acridine;1,2,3,4,5,6,7,8,9-nonafluoroacridine
SMILESCOc1cc(C)c2ccccc2n1.Cc1c2ccccc2[n+]([O-])c2ccccc12.Cc1c2ccccc2nc2cc(C(F)(F)F)ccc12.Cc1c2ccccc2nc2cc(F)ccc12.Cc1c2ccccc2nc2ccc(Cl)cc12.Cc1c2ccccc2nc2ccccc12.Cc1c2ccccc2pc2ccccc12.Fc1c(F)c(F)c2c(F)c3c(F)c(F)c(F)c(F)c3nc2c1F
InChIInChI=1S/C15H10F3N.C14H10ClN.C14H10FN.C14H11NO.C14H11N.C14H11P.C13F9N.C11H11NO/c1-9-11-4-2-3-5-13(11)19-14-8-10(15(16,17)18)6-7-12(9)14;1-9-11-4-2-3-5-13(11)16-14-7-6-10(15)8-12(9)14;1-9-11-4-2-3-5-13(11)16-14-8-10(15)6-7-12(9)14;1-10-11-6-2-4-8-13(11)15(16)14-9-5-3-7-12(10)14;2*1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;14-3-1-4(15)6(17)8(19)10(21)12(1)23-13-2(3)5(16)7(18)9(20)11(13)22;1-8-7-11(13-2)12-10-6-4-3-5-9(8)10/h2-8H,1H3;2*2-8H,1H3;2-9H,1H3;2*2-9H,1H3;;3-7H,1-2H3
InChIKeyNNONWFKHTDFZQT-UHFFFAOYSA-N
XLogP31.61
TPSA113.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001827.24
LogP ≤ 531.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-chloro-9-methylacridine;3-fluoro-9-methylacridine;2-methoxy-4-methylquinoline;9-methylacridine;10-methylacridophosphine;9-methyl-10-oxidoacridin-10-ium;9-methyl-3-(trifluoromethyl)acridine;1,2,3,4,5,6,7,8,9-nonafluoroacridine with MolForge

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Related Compounds

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
4-Chloro-5-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;4-chloro-7-fluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline
CID 159274151

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-methylacridine;3-fluoro-9-methylacridine;2-methoxy-4-methylquinoline;9-methylacridine;10-methylacridophosphine;9-methyl-10-oxidoacridin-10-ium;9-methyl-3-(trifluoromethyl)acridine;1,2,3,4,5,6,7,8,9-nonafluoroacridine?
The IUPAC name of 2-chloro-9-methylacridine;3-fluoro-9-methylacridine;2-methoxy-4-methylquinoline;9-methylacridine;10-methylacridophosphine;9-methyl-10-oxidoacridin-10-ium;9-methyl-3-(trifluoromethyl)acridine;1,2,3,4,5,6,7,8,9-nonafluoroacridine (CID 159831974) is 2-chloro-9-methylacridine;3-fluoro-9-methylacridine;2-methoxy-4-methylquinoline;9-methylacridine;10-methylacridophosphine;9-methyl-10-oxidoacridin-10-ium;9-methyl-3-(trifluoromethyl)acridine;1,2,3,4,5,6,7,8,9-nonafluoroacridine.
What is the SMILES notation for 2-chloro-9-methylacridine;3-fluoro-9-methylacridine;2-methoxy-4-methylquinoline;9-methylacridine;10-methylacridophosphine;9-methyl-10-oxidoacridin-10-ium;9-methyl-3-(trifluoromethyl)acridine;1,2,3,4,5,6,7,8,9-nonafluoroacridine?
The canonical SMILES for 2-chloro-9-methylacridine;3-fluoro-9-methylacridine;2-methoxy-4-methylquinoline;9-methylacridine;10-methylacridophosphine;9-methyl-10-oxidoacridin-10-ium;9-methyl-3-(trifluoromethyl)acridine;1,2,3,4,5,6,7,8,9-nonafluoroacridine is COc1cc(C)c2ccccc2n1.Cc1c2ccccc2[n+]([O-])c2ccccc12.Cc1c2ccccc2nc2cc(C(F)(F)F)ccc12.Cc1c2ccccc2nc2cc(F)ccc12.Cc1c2ccccc2nc2ccc(Cl)cc12.Cc1c2ccccc2nc2ccccc12.Cc1c2ccccc2pc2ccccc12.Fc1c(F)c(F)c2c(F)c3c(F)c(F)c(F)c(F)c3nc2c1F.
What is the InChIKey of 2-chloro-9-methylacridine;3-fluoro-9-methylacridine;2-methoxy-4-methylquinoline;9-methylacridine;10-methylacridophosphine;9-methyl-10-oxidoacridin-10-ium;9-methyl-3-(trifluoromethyl)acridine;1,2,3,4,5,6,7,8,9-nonafluoroacridine?
The InChIKey is NNONWFKHTDFZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N.C14H10ClN.C14H10FN.C14H11NO.C14H11N.C14H11P.C13F9N.C11H11NO/c1-9-11-4-2-3-5-13(11)19-14-8-10(15(16,17)18)6-7-12(9)14;1-9-11-4-2-3-5-13(11)16-14-7-6-10(15)8-12(9)14;1-9-11-4-2-3-5-13(11)16-14-8-10(15)6-7-12(9)14;1-10-11-6-2-4-8-13(11)15(16)14-9-5-3-7-12(10)14;2*1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;14-3-1-4(15)6(17)8(19)10(21)12(1)23-13-2(3)5(16)7(18)9(20)11(13)22;1-8-7-11(13-2)12-10-6-4-3-5-9(8)10/h2-8H,1H3;2*2-8H,1H3;2-9H,1H3;2*2-9H,1H3;;3-7H,1-2H3.
What are the key properties of 2-chloro-9-methylacridine;3-fluoro-9-methylacridine;2-methoxy-4-methylquinoline;9-methylacridine;10-methylacridophosphine;9-methyl-10-oxidoacridin-10-ium;9-methyl-3-(trifluoromethyl)acridine;1,2,3,4,5,6,7,8,9-nonafluoroacridine?
2-chloro-9-methylacridine;3-fluoro-9-methylacridine;2-methoxy-4-methylquinoline;9-methylacridine;10-methylacridophosphine;9-methyl-10-oxidoacridin-10-ium;9-methyl-3-(trifluoromethyl)acridine;1,2,3,4,5,6,7,8,9-nonafluoroacridine has a molecular weight of 1827.24 g/mol, XLogP of 31.61, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-methylacridine;3-fluoro-9-methylacridine;2-methoxy-4-methylquinoline;9-methylacridine;10-methylacridophosphine;9-methyl-10-oxidoacridin-10-ium;9-methyl-3-(trifluoromethyl)acridine;1,2,3,4,5,6,7,8,9-nonafluoroacridine is sourced from PubChem (CID 159831974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).