3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-isoquinolin-8-yl-8-methyl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-3-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-quinolin-8-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-(1,3,5-triazin-2-yl)-1,3-benzoxazin-3-ium-2-one

C144H114N28O22+10 — CID 157488221

IUPAC3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-isoquinolin-8-yl-8-methyl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-3-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-quinolin-8-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-(1,3,5-triazin-2-yl)-1,3-benzoxazin-3-ium-2-one
SMILESCOc1nc(OC)nc(-[n+]2cc3cccc(C)c3oc2=O)n1.Cc1cccc2c[n+](-c3cccc4cccnc34)c(=O)oc12.Cc1cccc2c[n+](-c3cccc4ccncc34)c(=O)oc12.Cc1cccc2c[n+](-c3ccccn3)c(=O)oc12.Cc1cccc2c[n+](-c3cccnc3)c(=O)oc12.Cc1cccc2c[n+](-c3ccncc3)c(=O)oc12.Cc1cccc2c[n+](-c3ccncn3)c(=O)oc12.Cc1cccc2c[n+](-c3ncccn3)c(=O)oc12.Cc1cccc2c[n+](-c3ncncn3)c(=O)oc12.Cc1nc(C)nc(-[n+]2cc3cccc(C)c3oc2=O)n1
InChIInChI=1S/2C18H13N2O2.C14H13N4O4.C14H13N4O2.3C14H11N2O2.2C13H10N3O2.C12H9N4O2/c1-12-5-2-7-14-11-20(18(21)22-17(12)14)15-9-3-6-13-8-4-10-19-16(13)15;1-12-4-2-6-14-11-20(18(21)22-17(12)14)16-7-3-5-13-8-9-19-10-15(13)16;1-8-5-4-6-9-7-18(14(19)22-10(8)9)11-15-12(20-2)17-13(16-11)21-3;1-8-5-4-6-11-7-18(14(19)20-12(8)11)13-16-9(2)15-10(3)17-13;1-10-4-2-5-11-9-16(14(17)18-13(10)11)12-6-3-7-15-8-12;1-10-5-4-6-11-9-16(14(17)18-13(10)11)12-7-2-3-8-15-12;1-10-3-2-4-11-9-16(14(17)18-13(10)11)12-5-7-15-8-6-12;1-9-4-2-5-10-8-16(13(17)18-11(9)10)12-14-6-3-7-15-12;1-9-3-2-4-10-7-16(13(17)18-12(9)10)11-5-6-14-8-15-11;1-8-3-2-4-9-5-16(12(17)18-10(8)9)11-14-6-13-7-15-11/h2*2-11H,1H3;4-7H,1-3H3;4-7H,1-3H3;3*2-9H,1H3;2*2-8H,1H3;2-7H,1H3/q10*+1
InChIKeyRBVHNECIAJLKAH-UHFFFAOYSA-N
MW2588.67 g/mol
LogP15.83
Rot. Bonds12

About 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-isoquinolin-8-yl-8-methyl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-3-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-quinolin-8-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-(1,3,5-triazin-2-yl)-1,3-benzoxazin-3-ium-2-one

3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-isoquinolin-8-yl-8-methyl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-3-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-quinolin-8-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-(1,3,5-triazin-2-yl)-1,3-benzoxazin-3-ium-2-one (PubChem CID 157488221) has the molecular formula C144H114N28O22+10 and a molecular weight of 2588.67 g/mol. Its IUPAC name is 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-isoquinolin-8-yl-8-methyl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-3-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-quinolin-8-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-(1,3,5-triazin-2-yl)-1,3-benzoxazin-3-ium-2-one.

Molecular Properties

Compound Name3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-isoquinolin-8-yl-8-methyl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-3-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-quinolin-8-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-(1,3,5-triazin-2-yl)-1,3-benzoxazin-3-ium-2-one
PubChem CID157488221
Molecular FormulaC144H114N28O22+10
Molecular Weight2588.67 g/mol
Exact Mass2586.86
IUPAC Name3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-isoquinolin-8-yl-8-methyl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-3-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-quinolin-8-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-(1,3,5-triazin-2-yl)-1,3-benzoxazin-3-ium-2-one
SMILESCOc1nc(OC)nc(-[n+]2cc3cccc(C)c3oc2=O)n1.Cc1cccc2c[n+](-c3cccc4cccnc34)c(=O)oc12.Cc1cccc2c[n+](-c3cccc4ccncc34)c(=O)oc12.Cc1cccc2c[n+](-c3ccccn3)c(=O)oc12.Cc1cccc2c[n+](-c3cccnc3)c(=O)oc12.Cc1cccc2c[n+](-c3ccncc3)c(=O)oc12.Cc1cccc2c[n+](-c3ccncn3)c(=O)oc12.Cc1cccc2c[n+](-c3ncccn3)c(=O)oc12.Cc1cccc2c[n+](-c3ncncn3)c(=O)oc12.Cc1nc(C)nc(-[n+]2cc3cccc(C)c3oc2=O)n1
InChIInChI=1S/2C18H13N2O2.C14H13N4O4.C14H13N4O2.3C14H11N2O2.2C13H10N3O2.C12H9N4O2/c1-12-5-2-7-14-11-20(18(21)22-17(12)14)15-9-3-6-13-8-4-10-19-16(13)15;1-12-4-2-6-14-11-20(18(21)22-17(12)14)16-7-3-5-13-8-9-19-10-15(13)16;1-8-5-4-6-9-7-18(14(19)22-10(8)9)11-15-12(20-2)17-13(16-11)21-3;1-8-5-4-6-11-7-18(14(19)20-12(8)11)13-16-9(2)15-10(3)17-13;1-10-4-2-5-11-9-16(14(17)18-13(10)11)12-6-3-7-15-8-12;1-10-5-4-6-11-9-16(14(17)18-13(10)11)12-7-2-3-8-15-12;1-10-3-2-4-11-9-16(14(17)18-13(10)11)12-5-7-15-8-6-12;1-9-4-2-5-10-8-16(13(17)18-11(9)10)12-14-6-3-7-15-12;1-9-3-2-4-10-7-16(13(17)18-12(9)10)11-5-6-14-8-15-11;1-8-3-2-4-9-5-16(12(17)18-10(8)9)11-14-6-13-7-15-11/h2*2-11H,1H3;4-7H,1-3H3;4-7H,1-3H3;3*2-9H,1H3;2*2-8H,1H3;2-7H,1H3/q10*+1
InChIKeyRBVHNECIAJLKAH-UHFFFAOYSA-N
XLogP15.83
TPSA591.38 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds12
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002588.67
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-isoquinolin-8-yl-8-methyl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-3-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-quinolin-8-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-(1,3,5-triazin-2-yl)-1,3-benzoxazin-3-ium-2-one with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-[4-[4-[8-(6-methoxypyridin-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 135372664
8-(3,4-Difluorophenyl)-2-methyl-7,10-dihydropyrido[3,2-h][2,3]benzoxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;bis(3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine);3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine
CID 157628974
3,8-Bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;1,2-difluoro-4-methylbenzene;1,3-difluoro-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-4-methylbenzene;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene
CID 158795075
8-(3,4-Difluorophenyl)-2-methyl-7,10-dihydropyrido[3,2-h][2,3]benzoxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine
CID 162168087
(2,6-dimethylphenyl) N-[2-[2-(aminomethyl)anilino]-3-phenylphenyl]-N-pyrimidin-4-ylcarbamate
CID 69065420
(2,6-dimethylphenyl) N-(9-ethylcarbazol-3-yl)-N-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]carbamate
CID 69553883
(2,6-dimethylphenyl) N-naphthalen-2-yl-N-[2-[[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]carbamate
CID 69554208
(2,6-dimethylphenyl) N-naphthalen-2-yl-N-[2-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]carbamate
CID 69554210
(2,6-dimethylphenyl) N-[2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]anilino]pyrimidin-4-yl]-N-(9-ethylcarbazol-3-yl)carbamate
CID 69555882
(2,6-dimethylphenyl) N-[2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]anilino]-9-ethylcarbazol-3-yl]-N-pyrimidin-4-ylcarbamate
CID 69555883
[4-[2-(4-Methyl-2-pyridinyl)ethyl]phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate
CID 87882806
3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-8-methyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-(1,3,5-triazin-2-yl)-2H-1,3-benzoxazin-3-ium;3-quinolin-8-yl-2H-1,3-benzoxazin-3-ium
CID 91340257

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-isoquinolin-8-yl-8-methyl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-3-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-quinolin-8-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-(1,3,5-triazin-2-yl)-1,3-benzoxazin-3-ium-2-one?
The IUPAC name of 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-isoquinolin-8-yl-8-methyl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-3-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-quinolin-8-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-(1,3,5-triazin-2-yl)-1,3-benzoxazin-3-ium-2-one (CID 157488221) is 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-isoquinolin-8-yl-8-methyl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-3-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-quinolin-8-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-(1,3,5-triazin-2-yl)-1,3-benzoxazin-3-ium-2-one.
What is the SMILES notation for 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-isoquinolin-8-yl-8-methyl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-3-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-quinolin-8-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-(1,3,5-triazin-2-yl)-1,3-benzoxazin-3-ium-2-one?
The canonical SMILES for 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-isoquinolin-8-yl-8-methyl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-3-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-quinolin-8-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-(1,3,5-triazin-2-yl)-1,3-benzoxazin-3-ium-2-one is COc1nc(OC)nc(-[n+]2cc3cccc(C)c3oc2=O)n1.Cc1cccc2c[n+](-c3cccc4cccnc34)c(=O)oc12.Cc1cccc2c[n+](-c3cccc4ccncc34)c(=O)oc12.Cc1cccc2c[n+](-c3ccccn3)c(=O)oc12.Cc1cccc2c[n+](-c3cccnc3)c(=O)oc12.Cc1cccc2c[n+](-c3ccncc3)c(=O)oc12.Cc1cccc2c[n+](-c3ccncn3)c(=O)oc12.Cc1cccc2c[n+](-c3ncccn3)c(=O)oc12.Cc1cccc2c[n+](-c3ncncn3)c(=O)oc12.Cc1nc(C)nc(-[n+]2cc3cccc(C)c3oc2=O)n1.
What is the InChIKey of 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-isoquinolin-8-yl-8-methyl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-3-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-quinolin-8-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-(1,3,5-triazin-2-yl)-1,3-benzoxazin-3-ium-2-one?
The InChIKey is RBVHNECIAJLKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H13N2O2.C14H13N4O4.C14H13N4O2.3C14H11N2O2.2C13H10N3O2.C12H9N4O2/c1-12-5-2-7-14-11-20(18(21)22-17(12)14)15-9-3-6-13-8-4-10-19-16(13)15;1-12-4-2-6-14-11-20(18(21)22-17(12)14)16-7-3-5-13-8-9-19-10-15(13)16;1-8-5-4-6-9-7-18(14(19)22-10(8)9)11-15-12(20-2)17-13(16-11)21-3;1-8-5-4-6-11-7-18(14(19)20-12(8)11)13-16-9(2)15-10(3)17-13;1-10-4-2-5-11-9-16(14(17)18-13(10)11)12-6-3-7-15-8-12;1-10-5-4-6-11-9-16(14(17)18-13(10)11)12-7-2-3-8-15-12;1-10-3-2-4-11-9-16(14(17)18-13(10)11)12-5-7-15-8-6-12;1-9-4-2-5-10-8-16(13(17)18-11(9)10)12-14-6-3-7-15-12;1-9-3-2-4-10-7-16(13(17)18-12(9)10)11-5-6-14-8-15-11;1-8-3-2-4-9-5-16(12(17)18-10(8)9)11-14-6-13-7-15-11/h2*2-11H,1H3;4-7H,1-3H3;4-7H,1-3H3;3*2-9H,1H3;2*2-8H,1H3;2-7H,1H3/q10*+1.
What are the key properties of 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-isoquinolin-8-yl-8-methyl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-3-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-quinolin-8-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-(1,3,5-triazin-2-yl)-1,3-benzoxazin-3-ium-2-one?
3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-isoquinolin-8-yl-8-methyl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-3-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-quinolin-8-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-(1,3,5-triazin-2-yl)-1,3-benzoxazin-3-ium-2-one has a molecular weight of 2588.67 g/mol, XLogP of 15.83, 12 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-8-methyl-1,3-benzoxazin-3-ium-2-one;3-isoquinolin-8-yl-8-methyl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-3-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyridin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-2-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-pyrimidin-4-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-quinolin-8-yl-1,3-benzoxazin-3-ium-2-one;8-methyl-3-(1,3,5-triazin-2-yl)-1,3-benzoxazin-3-ium-2-one is sourced from PubChem (CID 157488221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).