[4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3,4-diphenylbutyl]-trimethylazanium;[6-(6-bromo-2-methoxyquinolin-3-yl)-5-hydroxy-5,6-diphenylhexyl]-trimethylazanium;bis([4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutyl]-trimethylazanium);[3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-3-hydroxy-5-phenylpentyl]-trimethylazanium;pentaiodide

C157H172Br5I5N10O10 — CID 157497015

IUPAC[4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3,4-diphenylbutyl]-trimethylazanium;[6-(6-bromo-2-methoxyquinolin-3-yl)-5-hydroxy-5,6-diphenylhexyl]-trimethylazanium;bis([4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutyl]-trimethylazanium);[3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-3-hydroxy-5-phenylpentyl]-trimethylazanium;pentaiodide
SMILESCOc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CCCC[N+](C)(C)C)c1ccccc1.COc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CC[N+](C)(C)C)c1cccc2ccccc12.COc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CC[N+](C)(C)C)c1cccc2ccccc12.COc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CC[N+](C)(C)C)c1ccccc1.COc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CCc1ccccc1)CC[N+](C)(C)C.[I-].[I-].[I-].[I-].[I-]
InChIInChI=1S/2C33H34BrN2O2.2C31H36BrN2O2.C29H32BrN2O2.5HI/c2*1-36(2,3)20-19-33(37,29-16-10-14-23-11-8-9-15-27(23)29)31(24-12-6-5-7-13-24)28-22-25-21-26(34)17-18-30(25)35-32(28)38-4;1-34(2,3)20-12-11-19-31(35,25-15-9-6-10-16-25)29(23-13-7-5-8-14-23)27-22-24-21-26(32)17-18-28(24)33-30(27)36-4;1-34(2,3)20-19-31(35,18-17-23-11-7-5-8-12-23)29(24-13-9-6-10-14-24)27-22-25-21-26(32)15-16-28(25)33-30(27)36-4;1-32(2,3)18-17-29(33,23-13-9-6-10-14-23)27(21-11-7-5-8-12-21)25-20-22-19-24(30)15-16-26(22)31-28(25)34-4;;;;;/h2*5-18,21-22,31,37H,19-20H2,1-4H3;5-10,13-18,21-22,29,35H,11-12,19-20H2,1-4H3;5-16,21-22,29,35H,17-20H2,1-4H3;5-16,19-20,27,33H,17-18H2,1-4H3;5*1H/q5*+1;;;;;/p-5
InChIKeyCWJQLMMHYHUTHI-UHFFFAOYSA-I
MW3393.20 g/mol
LogP19.19
Rot. Bonds44

About [4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3,4-diphenylbutyl]-trimethylazanium;[6-(6-bromo-2-methoxyquinolin-3-yl)-5-hydroxy-5,6-diphenylhexyl]-trimethylazanium;bis([4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutyl]-trimethylazanium);[3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-3-hydroxy-5-phenylpentyl]-trimethylazanium;pentaiodide

[4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3,4-diphenylbutyl]-trimethylazanium;[6-(6-bromo-2-methoxyquinolin-3-yl)-5-hydroxy-5,6-diphenylhexyl]-trimethylazanium;bis([4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutyl]-trimethylazanium);[3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-3-hydroxy-5-phenylpentyl]-trimethylazanium;pentaiodide (PubChem CID 157497015) has the molecular formula C157H172Br5I5N10O10 and a molecular weight of 3393.20 g/mol. Its IUPAC name is [4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3,4-diphenylbutyl]-trimethylazanium;[6-(6-bromo-2-methoxyquinolin-3-yl)-5-hydroxy-5,6-diphenylhexyl]-trimethylazanium;bis([4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutyl]-trimethylazanium);[3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-3-hydroxy-5-phenylpentyl]-trimethylazanium;pentaiodide.

Molecular Properties

Compound Name[4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3,4-diphenylbutyl]-trimethylazanium;[6-(6-bromo-2-methoxyquinolin-3-yl)-5-hydroxy-5,6-diphenylhexyl]-trimethylazanium;bis([4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutyl]-trimethylazanium);[3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-3-hydroxy-5-phenylpentyl]-trimethylazanium;pentaiodide
PubChem CID157497015
Molecular FormulaC157H172Br5I5N10O10
Molecular Weight3393.20 g/mol
Exact Mass3386.44
IUPAC Name[4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3,4-diphenylbutyl]-trimethylazanium;[6-(6-bromo-2-methoxyquinolin-3-yl)-5-hydroxy-5,6-diphenylhexyl]-trimethylazanium;bis([4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutyl]-trimethylazanium);[3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-3-hydroxy-5-phenylpentyl]-trimethylazanium;pentaiodide
SMILESCOc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CCCC[N+](C)(C)C)c1ccccc1.COc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CC[N+](C)(C)C)c1cccc2ccccc12.COc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CC[N+](C)(C)C)c1cccc2ccccc12.COc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CC[N+](C)(C)C)c1ccccc1.COc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CCc1ccccc1)CC[N+](C)(C)C.[I-].[I-].[I-].[I-].[I-]
InChIInChI=1S/2C33H34BrN2O2.2C31H36BrN2O2.C29H32BrN2O2.5HI/c2*1-36(2,3)20-19-33(37,29-16-10-14-23-11-8-9-15-27(23)29)31(24-12-6-5-7-13-24)28-22-25-21-26(34)17-18-30(25)35-32(28)38-4;1-34(2,3)20-12-11-19-31(35,25-15-9-6-10-16-25)29(23-13-7-5-8-14-23)27-22-24-21-26(32)17-18-28(24)33-30(27)36-4;1-34(2,3)20-19-31(35,18-17-23-11-7-5-8-12-23)29(24-13-9-6-10-14-24)27-22-25-21-26(32)15-16-28(25)33-30(27)36-4;1-32(2,3)18-17-29(33,23-13-9-6-10-14-23)27(21-11-7-5-8-12-21)25-20-22-19-24(30)15-16-26(22)31-28(25)34-4;;;;;/h2*5-18,21-22,31,37H,19-20H2,1-4H3;5-10,13-18,21-22,29,35H,11-12,19-20H2,1-4H3;5-16,21-22,29,35H,17-20H2,1-4H3;5-16,19-20,27,33H,17-18H2,1-4H3;5*1H/q5*+1;;;;;/p-5
InChIKeyCWJQLMMHYHUTHI-UHFFFAOYSA-I
XLogP19.19
TPSA211.75 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds44
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003393.20
LogP ≤ 519.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3,4-diphenylbutyl]-trimethylazanium;[6-(6-bromo-2-methoxyquinolin-3-yl)-5-hydroxy-5,6-diphenylhexyl]-trimethylazanium;bis([4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutyl]-trimethylazanium);[3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-3-hydroxy-5-phenylpentyl]-trimethylazanium;pentaiodide with MolForge

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Related Compounds

[4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutyl]-trimethylazanium
CID 15941001
(2R)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 138110294
7-[benzyl(methyl)amino]-3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-phenylheptan-3-ol
CID 59200518
(3S,4R)-4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutanal
CID 176915260
3-[(R)-(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-7-(4-methylpiperazin-1-yl)-1-phenylheptan-3-ol
CID 118195579
1-(6-bromo-2-methoxyquinolin-3-yl)-4-[ethyl(dimethyl)azaniumyl]-2-naphthalen-1-yl-1-phenylbutan-2-olate;hydroiodide
CID 15940999
1-(6-bromo-2-methoxyquinolin-3-yl)-3-methylsulfanyl-1,2-diphenylpropan-2-ol
CID 143687575
(3-bromophenyl)-[3-[4-(dimethylamino)-2-hydroxy-2-naphthalen-1-yl-1-phenylbutyl]-2-methoxyquinolin-6-yl]methanone
CID 59199486
CID 88964570
CID 88964570
1-(6-bromo-2-methoxyquinolin-3-yl)-2-naphthalen-2-yl-1-phenyl-4-(trimethylazaniumyl)butan-2-olate;hydroiodide
CID 15941140
(1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 124581629
1-(6-bromo-2-methoxyquinolin-3-yl)-1-(3,4-dichlorophenyl)-2-phenyl-6-piperidin-1-ylhexan-2-ol
CID 15947496

Frequently Asked Questions

What is the IUPAC name of [4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3,4-diphenylbutyl]-trimethylazanium;[6-(6-bromo-2-methoxyquinolin-3-yl)-5-hydroxy-5,6-diphenylhexyl]-trimethylazanium;bis([4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutyl]-trimethylazanium);[3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-3-hydroxy-5-phenylpentyl]-trimethylazanium;pentaiodide?
The IUPAC name of [4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3,4-diphenylbutyl]-trimethylazanium;[6-(6-bromo-2-methoxyquinolin-3-yl)-5-hydroxy-5,6-diphenylhexyl]-trimethylazanium;bis([4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutyl]-trimethylazanium);[3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-3-hydroxy-5-phenylpentyl]-trimethylazanium;pentaiodide (CID 157497015) is [4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3,4-diphenylbutyl]-trimethylazanium;[6-(6-bromo-2-methoxyquinolin-3-yl)-5-hydroxy-5,6-diphenylhexyl]-trimethylazanium;bis([4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutyl]-trimethylazanium);[3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-3-hydroxy-5-phenylpentyl]-trimethylazanium;pentaiodide.
What is the SMILES notation for [4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3,4-diphenylbutyl]-trimethylazanium;[6-(6-bromo-2-methoxyquinolin-3-yl)-5-hydroxy-5,6-diphenylhexyl]-trimethylazanium;bis([4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutyl]-trimethylazanium);[3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-3-hydroxy-5-phenylpentyl]-trimethylazanium;pentaiodide?
The canonical SMILES for [4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3,4-diphenylbutyl]-trimethylazanium;[6-(6-bromo-2-methoxyquinolin-3-yl)-5-hydroxy-5,6-diphenylhexyl]-trimethylazanium;bis([4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutyl]-trimethylazanium);[3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-3-hydroxy-5-phenylpentyl]-trimethylazanium;pentaiodide is COc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CCCC[N+](C)(C)C)c1ccccc1.COc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CC[N+](C)(C)C)c1cccc2ccccc12.COc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CC[N+](C)(C)C)c1cccc2ccccc12.COc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CC[N+](C)(C)C)c1ccccc1.COc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CCc1ccccc1)CC[N+](C)(C)C.[I-].[I-].[I-].[I-].[I-].
What is the InChIKey of [4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3,4-diphenylbutyl]-trimethylazanium;[6-(6-bromo-2-methoxyquinolin-3-yl)-5-hydroxy-5,6-diphenylhexyl]-trimethylazanium;bis([4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutyl]-trimethylazanium);[3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-3-hydroxy-5-phenylpentyl]-trimethylazanium;pentaiodide?
The InChIKey is CWJQLMMHYHUTHI-UHFFFAOYSA-I. The full InChI is InChI=1S/2C33H34BrN2O2.2C31H36BrN2O2.C29H32BrN2O2.5HI/c2*1-36(2,3)20-19-33(37,29-16-10-14-23-11-8-9-15-27(23)29)31(24-12-6-5-7-13-24)28-22-25-21-26(34)17-18-30(25)35-32(28)38-4;1-34(2,3)20-12-11-19-31(35,25-15-9-6-10-16-25)29(23-13-7-5-8-14-23)27-22-24-21-26(32)17-18-28(24)33-30(27)36-4;1-34(2,3)20-19-31(35,18-17-23-11-7-5-8-12-23)29(24-13-9-6-10-14-24)27-22-25-21-26(32)15-16-28(25)33-30(27)36-4;1-32(2,3)18-17-29(33,23-13-9-6-10-14-23)27(21-11-7-5-8-12-21)25-20-22-19-24(30)15-16-26(22)31-28(25)34-4;;;;;/h2*5-18,21-22,31,37H,19-20H2,1-4H3;5-10,13-18,21-22,29,35H,11-12,19-20H2,1-4H3;5-16,21-22,29,35H,17-20H2,1-4H3;5-16,19-20,27,33H,17-18H2,1-4H3;5*1H/q5*+1;;;;;/p-5.
What are the key properties of [4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3,4-diphenylbutyl]-trimethylazanium;[6-(6-bromo-2-methoxyquinolin-3-yl)-5-hydroxy-5,6-diphenylhexyl]-trimethylazanium;bis([4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutyl]-trimethylazanium);[3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-3-hydroxy-5-phenylpentyl]-trimethylazanium;pentaiodide?
[4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3,4-diphenylbutyl]-trimethylazanium;[6-(6-bromo-2-methoxyquinolin-3-yl)-5-hydroxy-5,6-diphenylhexyl]-trimethylazanium;bis([4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutyl]-trimethylazanium);[3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-3-hydroxy-5-phenylpentyl]-trimethylazanium;pentaiodide has a molecular weight of 3393.20 g/mol, XLogP of 19.19, 44 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3,4-diphenylbutyl]-trimethylazanium;[6-(6-bromo-2-methoxyquinolin-3-yl)-5-hydroxy-5,6-diphenylhexyl]-trimethylazanium;bis([4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutyl]-trimethylazanium);[3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-3-hydroxy-5-phenylpentyl]-trimethylazanium;pentaiodide is sourced from PubChem (CID 157497015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).