[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-4-methylphenyl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-N,N,4-trimethylaniline;[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-4-methylnaphthalen-1-yl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-N,N,4-trimethylnaphthalen-1-amine;methane

C89H98F4N10O4+4 — CID 158176164

IUPAC[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-4-methylphenyl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-N,N,4-trimethylaniline;[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-4-methylnaphthalen-1-yl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-N,N,4-trimethylnaphthalen-1-amine;methane
SMILESC.COc1cc(CO)cc(-c2c(C)nc3cc(F)c(C)cc3[n+]2C)c1C.COc1cc(N(C)C)cc(-c2c(C)nc3cc(F)c(C)cc3[n+]2C)c1C.Cc1cc2c(cc1F)nc(C)c(-c1cc(CO)c3ccccc3c1C)[n+]2C.Cc1cc2c(cc1F)nc(C)c(-c1cc(N(C)C)c3ccccc3c1C)[n+]2C
InChIInChI=1S/C24H25FN3.C23H22FN2O.C21H25FN3O.C20H22FN2O2.CH4/c1-14-11-23-21(13-20(14)25)26-16(3)24(28(23)6)19-12-22(27(4)5)18-10-8-7-9-17(18)15(19)2;1-13-9-22-21(11-20(13)24)25-15(3)23(26(22)4)19-10-16(12-27)18-8-6-5-7-17(18)14(19)2;1-12-8-19-18(11-17(12)22)23-14(3)21(25(19)6)16-9-15(24(4)5)10-20(26-7)13(16)2;1-11-6-18-17(9-16(11)21)22-13(3)20(23(18)4)15-7-14(10-24)8-19(25-5)12(15)2;/h7-13H,1-6H3;5-11,27H,12H2,1-4H3;8-11H,1-7H3;6-9,24H,10H2,1-5H3;1H4/q4*+1;
InChIKeyVRUSXWHPHNZQBZ-UHFFFAOYSA-N
MW1447.82 g/mol
LogP17.24
Rot. Bonds10

About [3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-4-methylphenyl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-N,N,4-trimethylaniline;[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-4-methylnaphthalen-1-yl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-N,N,4-trimethylnaphthalen-1-amine;methane

[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-4-methylphenyl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-N,N,4-trimethylaniline;[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-4-methylnaphthalen-1-yl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-N,N,4-trimethylnaphthalen-1-amine;methane (PubChem CID 158176164) has the molecular formula C89H98F4N10O4+4 and a molecular weight of 1447.82 g/mol. Its IUPAC name is [3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-4-methylphenyl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-N,N,4-trimethylaniline;[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-4-methylnaphthalen-1-yl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-N,N,4-trimethylnaphthalen-1-amine;methane.

Molecular Properties

Compound Name[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-4-methylphenyl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-N,N,4-trimethylaniline;[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-4-methylnaphthalen-1-yl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-N,N,4-trimethylnaphthalen-1-amine;methane
PubChem CID158176164
Molecular FormulaC89H98F4N10O4+4
Molecular Weight1447.82 g/mol
Exact Mass1446.77
IUPAC Name[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-4-methylphenyl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-N,N,4-trimethylaniline;[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-4-methylnaphthalen-1-yl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-N,N,4-trimethylnaphthalen-1-amine;methane
SMILESC.COc1cc(CO)cc(-c2c(C)nc3cc(F)c(C)cc3[n+]2C)c1C.COc1cc(N(C)C)cc(-c2c(C)nc3cc(F)c(C)cc3[n+]2C)c1C.Cc1cc2c(cc1F)nc(C)c(-c1cc(CO)c3ccccc3c1C)[n+]2C.Cc1cc2c(cc1F)nc(C)c(-c1cc(N(C)C)c3ccccc3c1C)[n+]2C
InChIInChI=1S/C24H25FN3.C23H22FN2O.C21H25FN3O.C20H22FN2O2.CH4/c1-14-11-23-21(13-20(14)25)26-16(3)24(28(23)6)19-12-22(27(4)5)18-10-8-7-9-17(18)15(19)2;1-13-9-22-21(11-20(13)24)25-15(3)23(26(22)4)19-10-16(12-27)18-8-6-5-7-17(18)14(19)2;1-12-8-19-18(11-17(12)22)23-14(3)21(25(19)6)16-9-15(24(4)5)10-20(26-7)13(16)2;1-11-6-18-17(9-16(11)21)22-13(3)20(23(18)4)15-7-14(10-24)8-19(25-5)12(15)2;/h7-13H,1-6H3;5-11,27H,12H2,1-4H3;8-11H,1-7H3;6-9,24H,10H2,1-5H3;1H4/q4*+1;
InChIKeyVRUSXWHPHNZQBZ-UHFFFAOYSA-N
XLogP17.24
TPSA132.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001447.82
LogP ≤ 517.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-4-methylphenyl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-N,N,4-trimethylaniline;[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-4-methylnaphthalen-1-yl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-N,N,4-trimethylnaphthalen-1-amine;methane with MolForge

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Related Compounds

11-Methoxy-3,6-bis(4-methylpiperazin-1-yl)phenanthro[9,10-b]quinoxaline
CID 166635790
3,6-Bis(4-methylpiperazin-1-yl)-11-phenoxyphenanthro[9,10-b]quinoxaline
CID 166635861
5-[1-[[2-Hydroxy-4-[1-[[2-hydroxy-4-[7-methoxy-5-(trifluoromethyl)quinolin-4-yl]phenyl]methyl]-5-methoxy-7-(trifluoromethyl)quinolin-1-ium-4-yl]phenyl]methyl]-5,7-bis(trifluoromethyl)quinolin-1-ium-4-yl]-2-methylphenol
CID 123422491
N,N-diphenylnaphtho[2,1-f]quinolin-12-amine;12-(3-methoxy-5-methylphenyl)naphtho[2,1-f]quinoline;12-[3-methyl-5-(trifluoromethyl)phenyl]naphtho[2,1-f]quinoline;4-(4-naphtho[2,1-f]quinolin-12-ylphenyl)-N,N-diphenylaniline;N-phenyl-N-(2,3,4-trifluorophenyl)naphtho[2,1-f]quinolin-12-amine
CID 158662943
2-(3,5-difluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;1,3-dimethyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3-dimethylpyrazin-1-ium;7-(1,3-dimethylpyrazin-1-ium-2-yl)-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-(1,3-dimethylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(1,3-dimethylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;2-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazin-1-ium
CID 159531855
1,2-Dimethyl-5-(4-methylphenyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium;[2-[3-(2-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium-2-yl]-3-methylphenyl]methanol
CID 160816650
carbanide;[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]-[(2R,4S)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]oxonio-1,1,1,5,5,5-hexafluoropentan-2-yl]oxidanium;[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-5-methyl-4-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;zirconium
CID 161252841
2-Methoxy-1-(2-methoxybenzo[a]phenazin-1-yl)benzo[a]phenazine
CID 101880730
5,9,14,18-Tetradecyloxy-dinaphto[2,3-a:2,3-h]phenazine
CID 122390987
2-(4-Methoxy-2,6-dimethylphenyl)-9-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline
CID 139190301
4-(4-Fluorophenyl)-6-oxa-4,15,22-triazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),8,10,12,14,16,18,20-nonaene
CID 101883027
4-(3-Fluorophenyl)-6-oxa-4,15,22-triazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),8,10,12,14,16,18,20-nonaene
CID 101883033

Frequently Asked Questions

What is the IUPAC name of [3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-4-methylphenyl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-N,N,4-trimethylaniline;[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-4-methylnaphthalen-1-yl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-N,N,4-trimethylnaphthalen-1-amine;methane?
The IUPAC name of [3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-4-methylphenyl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-N,N,4-trimethylaniline;[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-4-methylnaphthalen-1-yl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-N,N,4-trimethylnaphthalen-1-amine;methane (CID 158176164) is [3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-4-methylphenyl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-N,N,4-trimethylaniline;[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-4-methylnaphthalen-1-yl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-N,N,4-trimethylnaphthalen-1-amine;methane.
What is the SMILES notation for [3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-4-methylphenyl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-N,N,4-trimethylaniline;[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-4-methylnaphthalen-1-yl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-N,N,4-trimethylnaphthalen-1-amine;methane?
The canonical SMILES for [3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-4-methylphenyl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-N,N,4-trimethylaniline;[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-4-methylnaphthalen-1-yl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-N,N,4-trimethylnaphthalen-1-amine;methane is C.COc1cc(CO)cc(-c2c(C)nc3cc(F)c(C)cc3[n+]2C)c1C.COc1cc(N(C)C)cc(-c2c(C)nc3cc(F)c(C)cc3[n+]2C)c1C.Cc1cc2c(cc1F)nc(C)c(-c1cc(CO)c3ccccc3c1C)[n+]2C.Cc1cc2c(cc1F)nc(C)c(-c1cc(N(C)C)c3ccccc3c1C)[n+]2C.
What is the InChIKey of [3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-4-methylphenyl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-N,N,4-trimethylaniline;[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-4-methylnaphthalen-1-yl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-N,N,4-trimethylnaphthalen-1-amine;methane?
The InChIKey is VRUSXWHPHNZQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN3.C23H22FN2O.C21H25FN3O.C20H22FN2O2.CH4/c1-14-11-23-21(13-20(14)25)26-16(3)24(28(23)6)19-12-22(27(4)5)18-10-8-7-9-17(18)15(19)2;1-13-9-22-21(11-20(13)24)25-15(3)23(26(22)4)19-10-16(12-27)18-8-6-5-7-17(18)14(19)2;1-12-8-19-18(11-17(12)22)23-14(3)21(25(19)6)16-9-15(24(4)5)10-20(26-7)13(16)2;1-11-6-18-17(9-16(11)21)22-13(3)20(23(18)4)15-7-14(10-24)8-19(25-5)12(15)2;/h7-13H,1-6H3;5-11,27H,12H2,1-4H3;8-11H,1-7H3;6-9,24H,10H2,1-5H3;1H4/q4*+1;.
What are the key properties of [3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-4-methylphenyl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-N,N,4-trimethylaniline;[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-4-methylnaphthalen-1-yl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-N,N,4-trimethylnaphthalen-1-amine;methane?
[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-4-methylphenyl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-N,N,4-trimethylaniline;[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-4-methylnaphthalen-1-yl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-N,N,4-trimethylnaphthalen-1-amine;methane has a molecular weight of 1447.82 g/mol, XLogP of 17.24, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-4-methylphenyl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-5-methoxy-N,N,4-trimethylaniline;[3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-4-methylnaphthalen-1-yl]methanol;3-(6-fluoro-1,3,7-trimethylquinoxalin-1-ium-2-yl)-N,N,4-trimethylnaphthalen-1-amine;methane is sourced from PubChem (CID 158176164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).