3-[3-(8-azaspiro[4.5]decan-8-yl)propyl]-6-nitro-1-oxidobenzo[f]benzotriazol-1-ium-4,9-dione;methane;1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-oxidotriazolo[4,5-g]quinazolin-3-ium-4,9-dione;3-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinazolin-1-ium-4,9-dione;3-[3-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-[3-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]propyl]benzo[f]benzotriazol-3-ium-4,9-dione;1-oxido-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]triazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-(3-pyridin-2-ylpropyl)benzo[f]benzotriazol-3-ium-4,9-dione

C168H175N43O27S — CID 158020683

IUPAC3-[3-(8-azaspiro[4.5]decan-8-yl)propyl]-6-nitro-1-oxidobenzo[f]benzotriazol-1-ium-4,9-dione;methane;1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-oxidotriazolo[4,5-g]quinazolin-3-ium-4,9-dione;3-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinazolin-1-ium-4,9-dione;3-[3-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-[3-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]propyl]benzo[f]benzotriazol-3-ium-4,9-dione;1-oxido-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]triazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-(3-pyridin-2-ylpropyl)benzo[f]benzotriazol-3-ium-4,9-dione
SMILESC.C.C.C.COc1ccccc1N1CCN(CCCn2n[n+]([O-])c3c2C(=O)c2cncnc2C3=O)CC1.Cc1cnccc1N1CCN(CCCn2n[n+]([O-])c3c2C(=O)c2ncncc2C3=O)CC1.O=C1c2cc([N+](=O)[O-])ccc2C(=O)c2c1n(CCCN1CCC3(CCCC3)CC1)n[n+]2[O-].O=C1c2ccccc2C(=O)c2c1n(CCCc1ccc(-c3ccc4sc(CCc5ccccc5)nc4c3)cc1)n[n+]2[O-].O=C1c2ccccc2C(=O)c2c1n(CCCc1ccccn1)n[n+]2[O-].O=C1c2ncccc2C(=O)c2c1n(CCCN1CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC1)n[n+]2[O-].O=C1c2ncccc2C(=O)c2c1n(CCCN1CCN(c3ccccn3)CC1)n[n+]2[O-]
InChIInChI=1S/C34H26N4O3S.C26H28N8O6.C22H23N7O4.C22H25N5O5.C21H22N8O3.C21H21N7O3.C18H14N4O3.4CH4/c39-33-26-10-4-5-11-27(26)34(40)32-31(33)37(36-38(32)41)20-6-9-23-12-15-24(16-13-23)25-17-18-29-28(21-25)35-30(42-29)19-14-22-7-2-1-3-8-22;35-25-19-3-1-6-27-22(19)26(36)23-24(25)33(37)28-32(23)8-2-7-29-9-11-30(12-10-29)18-4-5-20(34(38)39)21(17-18)31-13-15-40-16-14-31;1-33-17-6-3-2-5-16(17)27-11-9-26(10-12-27)7-4-8-28-19-20(29(32)25-28)22(31)18-15(21(19)30)13-23-14-24-18;28-20-16-5-4-15(27(31)32)14-17(16)21(29)18-19(20)26(30)23-25(18)11-3-10-24-12-8-22(9-13-24)6-1-2-7-22;1-14-11-22-4-3-16(14)27-9-7-26(8-10-27)5-2-6-28-18-19(29(32)25-28)20(30)15-12-23-13-24-17(15)21(18)31;29-20-15-5-3-8-23-17(15)21(30)18-19(20)28(31)24-27(18)10-4-9-25-11-13-26(14-12-25)16-6-1-2-7-22-16;23-17-13-8-1-2-9-14(13)18(24)16-15(17)21(20-22(16)25)11-5-7-12-6-3-4-10-19-12;;;;/h1-5,7-8,10-13,15-18,21H,6,9,14,19-20H2;1,3-6,17H,2,7-16H2;2-3,5-6,13-14H,4,7-12H2,1H3;4-5,14H,1-3,6-13H2;3-4,11-13H,2,5-10H2,1H3;1-3,5-8H,4,9-14H2;1-4,6,8-10H,5,7,11H2;4*1H4
InChIKeyFGAHLIOANMKSOI-UHFFFAOYSA-N
MW3260.59 g/mol
LogP13.34
Rot. Bonds40

About 3-[3-(8-azaspiro[4.5]decan-8-yl)propyl]-6-nitro-1-oxidobenzo[f]benzotriazol-1-ium-4,9-dione;methane;1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-oxidotriazolo[4,5-g]quinazolin-3-ium-4,9-dione;3-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinazolin-1-ium-4,9-dione;3-[3-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-[3-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]propyl]benzo[f]benzotriazol-3-ium-4,9-dione;1-oxido-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]triazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-(3-pyridin-2-ylpropyl)benzo[f]benzotriazol-3-ium-4,9-dione

3-[3-(8-azaspiro[4.5]decan-8-yl)propyl]-6-nitro-1-oxidobenzo[f]benzotriazol-1-ium-4,9-dione;methane;1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-oxidotriazolo[4,5-g]quinazolin-3-ium-4,9-dione;3-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinazolin-1-ium-4,9-dione;3-[3-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-[3-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]propyl]benzo[f]benzotriazol-3-ium-4,9-dione;1-oxido-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]triazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-(3-pyridin-2-ylpropyl)benzo[f]benzotriazol-3-ium-4,9-dione (PubChem CID 158020683) has the molecular formula C168H175N43O27S and a molecular weight of 3260.59 g/mol. Its IUPAC name is 3-[3-(8-azaspiro[4.5]decan-8-yl)propyl]-6-nitro-1-oxidobenzo[f]benzotriazol-1-ium-4,9-dione;methane;1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-oxidotriazolo[4,5-g]quinazolin-3-ium-4,9-dione;3-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinazolin-1-ium-4,9-dione;3-[3-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-[3-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]propyl]benzo[f]benzotriazol-3-ium-4,9-dione;1-oxido-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]triazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-(3-pyridin-2-ylpropyl)benzo[f]benzotriazol-3-ium-4,9-dione.

Molecular Properties

Compound Name3-[3-(8-azaspiro[4.5]decan-8-yl)propyl]-6-nitro-1-oxidobenzo[f]benzotriazol-1-ium-4,9-dione;methane;1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-oxidotriazolo[4,5-g]quinazolin-3-ium-4,9-dione;3-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinazolin-1-ium-4,9-dione;3-[3-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-[3-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]propyl]benzo[f]benzotriazol-3-ium-4,9-dione;1-oxido-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]triazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-(3-pyridin-2-ylpropyl)benzo[f]benzotriazol-3-ium-4,9-dione
PubChem CID158020683
Molecular FormulaC168H175N43O27S
Molecular Weight3260.59 g/mol
Exact Mass3258.34
IUPAC Name3-[3-(8-azaspiro[4.5]decan-8-yl)propyl]-6-nitro-1-oxidobenzo[f]benzotriazol-1-ium-4,9-dione;methane;1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-oxidotriazolo[4,5-g]quinazolin-3-ium-4,9-dione;3-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinazolin-1-ium-4,9-dione;3-[3-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-[3-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]propyl]benzo[f]benzotriazol-3-ium-4,9-dione;1-oxido-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]triazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-(3-pyridin-2-ylpropyl)benzo[f]benzotriazol-3-ium-4,9-dione
SMILESC.C.C.C.COc1ccccc1N1CCN(CCCn2n[n+]([O-])c3c2C(=O)c2cncnc2C3=O)CC1.Cc1cnccc1N1CCN(CCCn2n[n+]([O-])c3c2C(=O)c2ncncc2C3=O)CC1.O=C1c2cc([N+](=O)[O-])ccc2C(=O)c2c1n(CCCN1CCC3(CCCC3)CC1)n[n+]2[O-].O=C1c2ccccc2C(=O)c2c1n(CCCc1ccc(-c3ccc4sc(CCc5ccccc5)nc4c3)cc1)n[n+]2[O-].O=C1c2ccccc2C(=O)c2c1n(CCCc1ccccn1)n[n+]2[O-].O=C1c2ncccc2C(=O)c2c1n(CCCN1CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC1)n[n+]2[O-].O=C1c2ncccc2C(=O)c2c1n(CCCN1CCN(c3ccccn3)CC1)n[n+]2[O-]
InChIInChI=1S/C34H26N4O3S.C26H28N8O6.C22H23N7O4.C22H25N5O5.C21H22N8O3.C21H21N7O3.C18H14N4O3.4CH4/c39-33-26-10-4-5-11-27(26)34(40)32-31(33)37(36-38(32)41)20-6-9-23-12-15-24(16-13-23)25-17-18-29-28(21-25)35-30(42-29)19-14-22-7-2-1-3-8-22;35-25-19-3-1-6-27-22(19)26(36)23-24(25)33(37)28-32(23)8-2-7-29-9-11-30(12-10-29)18-4-5-20(34(38)39)21(17-18)31-13-15-40-16-14-31;1-33-17-6-3-2-5-16(17)27-11-9-26(10-12-27)7-4-8-28-19-20(29(32)25-28)22(31)18-15(21(19)30)13-23-14-24-18;28-20-16-5-4-15(27(31)32)14-17(16)21(29)18-19(20)26(30)23-25(18)11-3-10-24-12-8-22(9-13-24)6-1-2-7-22;1-14-11-22-4-3-16(14)27-9-7-26(8-10-27)5-2-6-28-18-19(29(32)25-28)20(30)15-12-23-13-24-17(15)21(18)31;29-20-15-5-3-8-23-17(15)21(30)18-19(20)28(31)24-27(18)10-4-9-25-11-13-26(14-12-25)16-6-1-2-7-22-16;23-17-13-8-1-2-9-14(13)18(24)16-15(17)21(20-22(16)25)11-5-7-12-6-3-4-10-19-12;;;;/h1-5,7-8,10-13,15-18,21H,6,9,14,19-20H2;1,3-6,17H,2,7-16H2;2-3,5-6,13-14H,4,7-12H2,1H3;4-5,14H,1-3,6-13H2;3-4,11-13H,2,5-10H2,1H3;1-3,5-8H,4,9-14H2;1-4,6,8-10H,5,7,11H2;4*1H4
InChIKeyFGAHLIOANMKSOI-UHFFFAOYSA-N
XLogP13.34
TPSA818.34 Ų
H-Bond Donors
H-Bond Acceptors62
Rotatable Bonds40
Heavy Atoms239
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003260.59
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1062

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-[3-(8-azaspiro[4.5]decan-8-yl)propyl]-6-nitro-1-oxidobenzo[f]benzotriazol-1-ium-4,9-dione;methane;1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-oxidotriazolo[4,5-g]quinazolin-3-ium-4,9-dione;3-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinazolin-1-ium-4,9-dione;3-[3-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-[3-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]propyl]benzo[f]benzotriazol-3-ium-4,9-dione;1-oxido-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]triazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-(3-pyridin-2-ylpropyl)benzo[f]benzotriazol-3-ium-4,9-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(8-azaspiro[4.5]decan-8-yl)propyl]-6-nitro-1-oxidobenzo[f]benzotriazol-1-ium-4,9-dione;methane;1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-oxidotriazolo[4,5-g]quinazolin-3-ium-4,9-dione;3-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinazolin-1-ium-4,9-dione;3-[3-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-[3-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]propyl]benzo[f]benzotriazol-3-ium-4,9-dione;1-oxido-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]triazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-(3-pyridin-2-ylpropyl)benzo[f]benzotriazol-3-ium-4,9-dione?
The IUPAC name of 3-[3-(8-azaspiro[4.5]decan-8-yl)propyl]-6-nitro-1-oxidobenzo[f]benzotriazol-1-ium-4,9-dione;methane;1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-oxidotriazolo[4,5-g]quinazolin-3-ium-4,9-dione;3-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinazolin-1-ium-4,9-dione;3-[3-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-[3-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]propyl]benzo[f]benzotriazol-3-ium-4,9-dione;1-oxido-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]triazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-(3-pyridin-2-ylpropyl)benzo[f]benzotriazol-3-ium-4,9-dione (CID 158020683) is 3-[3-(8-azaspiro[4.5]decan-8-yl)propyl]-6-nitro-1-oxidobenzo[f]benzotriazol-1-ium-4,9-dione;methane;1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-oxidotriazolo[4,5-g]quinazolin-3-ium-4,9-dione;3-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinazolin-1-ium-4,9-dione;3-[3-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-[3-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]propyl]benzo[f]benzotriazol-3-ium-4,9-dione;1-oxido-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]triazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-(3-pyridin-2-ylpropyl)benzo[f]benzotriazol-3-ium-4,9-dione.
What is the SMILES notation for 3-[3-(8-azaspiro[4.5]decan-8-yl)propyl]-6-nitro-1-oxidobenzo[f]benzotriazol-1-ium-4,9-dione;methane;1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-oxidotriazolo[4,5-g]quinazolin-3-ium-4,9-dione;3-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinazolin-1-ium-4,9-dione;3-[3-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-[3-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]propyl]benzo[f]benzotriazol-3-ium-4,9-dione;1-oxido-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]triazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-(3-pyridin-2-ylpropyl)benzo[f]benzotriazol-3-ium-4,9-dione?
The canonical SMILES for 3-[3-(8-azaspiro[4.5]decan-8-yl)propyl]-6-nitro-1-oxidobenzo[f]benzotriazol-1-ium-4,9-dione;methane;1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-oxidotriazolo[4,5-g]quinazolin-3-ium-4,9-dione;3-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinazolin-1-ium-4,9-dione;3-[3-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-[3-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]propyl]benzo[f]benzotriazol-3-ium-4,9-dione;1-oxido-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]triazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-(3-pyridin-2-ylpropyl)benzo[f]benzotriazol-3-ium-4,9-dione is C.C.C.C.COc1ccccc1N1CCN(CCCn2n[n+]([O-])c3c2C(=O)c2cncnc2C3=O)CC1.Cc1cnccc1N1CCN(CCCn2n[n+]([O-])c3c2C(=O)c2ncncc2C3=O)CC1.O=C1c2cc([N+](=O)[O-])ccc2C(=O)c2c1n(CCCN1CCC3(CCCC3)CC1)n[n+]2[O-].O=C1c2ccccc2C(=O)c2c1n(CCCc1ccc(-c3ccc4sc(CCc5ccccc5)nc4c3)cc1)n[n+]2[O-].O=C1c2ccccc2C(=O)c2c1n(CCCc1ccccn1)n[n+]2[O-].O=C1c2ncccc2C(=O)c2c1n(CCCN1CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC1)n[n+]2[O-].O=C1c2ncccc2C(=O)c2c1n(CCCN1CCN(c3ccccn3)CC1)n[n+]2[O-].
What is the InChIKey of 3-[3-(8-azaspiro[4.5]decan-8-yl)propyl]-6-nitro-1-oxidobenzo[f]benzotriazol-1-ium-4,9-dione;methane;1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-oxidotriazolo[4,5-g]quinazolin-3-ium-4,9-dione;3-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinazolin-1-ium-4,9-dione;3-[3-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-[3-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]propyl]benzo[f]benzotriazol-3-ium-4,9-dione;1-oxido-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]triazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-(3-pyridin-2-ylpropyl)benzo[f]benzotriazol-3-ium-4,9-dione?
The InChIKey is FGAHLIOANMKSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N4O3S.C26H28N8O6.C22H23N7O4.C22H25N5O5.C21H22N8O3.C21H21N7O3.C18H14N4O3.4CH4/c39-33-26-10-4-5-11-27(26)34(40)32-31(33)37(36-38(32)41)20-6-9-23-12-15-24(16-13-23)25-17-18-29-28(21-25)35-30(42-29)19-14-22-7-2-1-3-8-22;35-25-19-3-1-6-27-22(19)26(36)23-24(25)33(37)28-32(23)8-2-7-29-9-11-30(12-10-29)18-4-5-20(34(38)39)21(17-18)31-13-15-40-16-14-31;1-33-17-6-3-2-5-16(17)27-11-9-26(10-12-27)7-4-8-28-19-20(29(32)25-28)22(31)18-15(21(19)30)13-23-14-24-18;28-20-16-5-4-15(27(31)32)14-17(16)21(29)18-19(20)26(30)23-25(18)11-3-10-24-12-8-22(9-13-24)6-1-2-7-22;1-14-11-22-4-3-16(14)27-9-7-26(8-10-27)5-2-6-28-18-19(29(32)25-28)20(30)15-12-23-13-24-17(15)21(18)31;29-20-15-5-3-8-23-17(15)21(30)18-19(20)28(31)24-27(18)10-4-9-25-11-13-26(14-12-25)16-6-1-2-7-22-16;23-17-13-8-1-2-9-14(13)18(24)16-15(17)21(20-22(16)25)11-5-7-12-6-3-4-10-19-12;;;;/h1-5,7-8,10-13,15-18,21H,6,9,14,19-20H2;1,3-6,17H,2,7-16H2;2-3,5-6,13-14H,4,7-12H2,1H3;4-5,14H,1-3,6-13H2;3-4,11-13H,2,5-10H2,1H3;1-3,5-8H,4,9-14H2;1-4,6,8-10H,5,7,11H2;4*1H4.
What are the key properties of 3-[3-(8-azaspiro[4.5]decan-8-yl)propyl]-6-nitro-1-oxidobenzo[f]benzotriazol-1-ium-4,9-dione;methane;1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-oxidotriazolo[4,5-g]quinazolin-3-ium-4,9-dione;3-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinazolin-1-ium-4,9-dione;3-[3-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-[3-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]propyl]benzo[f]benzotriazol-3-ium-4,9-dione;1-oxido-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]triazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-(3-pyridin-2-ylpropyl)benzo[f]benzotriazol-3-ium-4,9-dione?
3-[3-(8-azaspiro[4.5]decan-8-yl)propyl]-6-nitro-1-oxidobenzo[f]benzotriazol-1-ium-4,9-dione;methane;1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-oxidotriazolo[4,5-g]quinazolin-3-ium-4,9-dione;3-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinazolin-1-ium-4,9-dione;3-[3-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-[3-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]propyl]benzo[f]benzotriazol-3-ium-4,9-dione;1-oxido-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]triazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-(3-pyridin-2-ylpropyl)benzo[f]benzotriazol-3-ium-4,9-dione has a molecular weight of 3260.59 g/mol, XLogP of 13.34, 40 rotatable bonds, 0 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(8-azaspiro[4.5]decan-8-yl)propyl]-6-nitro-1-oxidobenzo[f]benzotriazol-1-ium-4,9-dione;methane;1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-oxidotriazolo[4,5-g]quinazolin-3-ium-4,9-dione;3-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinazolin-1-ium-4,9-dione;3-[3-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]propyl]-1-oxidotriazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-[3-[4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]phenyl]propyl]benzo[f]benzotriazol-3-ium-4,9-dione;1-oxido-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]triazolo[4,5-g]quinolin-1-ium-4,9-dione;3-oxido-1-(3-pyridin-2-ylpropyl)benzo[f]benzotriazol-3-ium-4,9-dione is sourced from PubChem (CID 158020683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).