bis(N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide);methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride

C162H139ClN8O29S2 — CID 158496067

IUPACbis(N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide);methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride
SMILESC.COC(=O)c1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c(OC)c1.COC(=O)c1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1COc1cccc(OCc2ccc3ccccc3n2)c1.COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1COc1cccc(OCc2ccc3ccccc3n2)c1.Cl.O=C(O)c1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1.O=C(O)c1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1
InChIInChI=1S/2C31H26N2O6S.C26H23NO5.C25H21NO4.2C24H19NO4.CH4.ClH/c2*1-37-30-18-23(31(34)33-40(35,36)28-11-3-2-4-12-28)14-15-24(30)20-38-26-9-7-10-27(19-26)39-21-25-17-16-22-8-5-6-13-29(22)32-25;1-29-25-14-19(26(28)30-2)10-11-20(25)16-31-22-7-5-8-23(15-22)32-17-21-13-12-18-6-3-4-9-24(18)27-21;1-28-25(27)20-8-4-6-18(14-20)16-29-22-9-5-10-23(15-22)30-17-21-13-12-19-7-2-3-11-24(19)26-21;26-24(27)19-7-3-5-17(13-19)15-28-21-8-4-9-22(14-21)29-16-20-12-11-18-6-1-2-10-23(18)25-20;26-24(27)19-10-8-17(9-11-19)15-28-21-5-3-6-22(14-21)29-16-20-13-12-18-4-1-2-7-23(18)25-20;;/h2*2-19H,20-21H2,1H3,(H,33,34);3-15H,16-17H2,1-2H3;2-15H,16-17H2,1H3;2*1-14H,15-16H2,(H,26,27);1H4;1H
InChIKeyFKVNALXPNLGPIU-UHFFFAOYSA-N
MW2761.51 g/mol
LogP32.65
Rot. Bonds49

About bis(N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide);methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride

bis(N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide);methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride (PubChem CID 158496067) has the molecular formula C162H139ClN8O29S2 and a molecular weight of 2761.51 g/mol. Its IUPAC name is bis(N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide);methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride.

Molecular Properties

Compound Namebis(N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide);methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride
PubChem CID158496067
Molecular FormulaC162H139ClN8O29S2
Molecular Weight2761.51 g/mol
Exact Mass2758.88
IUPAC Namebis(N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide);methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride
SMILESC.COC(=O)c1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c(OC)c1.COC(=O)c1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1COc1cccc(OCc2ccc3ccccc3n2)c1.COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1COc1cccc(OCc2ccc3ccccc3n2)c1.Cl.O=C(O)c1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1.O=C(O)c1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1
InChIInChI=1S/2C31H26N2O6S.C26H23NO5.C25H21NO4.2C24H19NO4.CH4.ClH/c2*1-37-30-18-23(31(34)33-40(35,36)28-11-3-2-4-12-28)14-15-24(30)20-38-26-9-7-10-27(19-26)39-21-25-17-16-22-8-5-6-13-29(22)32-25;1-29-25-14-19(26(28)30-2)10-11-20(25)16-31-22-7-5-8-23(15-22)32-17-21-13-12-18-6-3-4-9-24(18)27-21;1-28-25(27)20-8-4-6-18(14-20)16-29-22-9-5-10-23(15-22)30-17-21-13-12-19-7-2-3-11-24(19)26-21;26-24(27)19-7-3-5-17(13-19)15-28-21-8-4-9-22(14-21)29-16-20-12-11-18-6-1-2-10-23(18)25-20;26-24(27)19-10-8-17(9-11-19)15-28-21-5-3-6-22(14-21)29-16-20-13-12-18-4-1-2-7-23(18)25-20;;/h2*2-19H,20-21H2,1H3,(H,33,34);3-15H,16-17H2,1-2H3;2-15H,16-17H2,1H3;2*1-14H,15-16H2,(H,26,27);1H4;1H
InChIKeyFKVNALXPNLGPIU-UHFFFAOYSA-N
XLogP32.65
TPSA469.47 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds49
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002761.51
LogP ≤ 532.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

Analyze bis(N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide);methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride with MolForge

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Related Compounds

N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide
CID 10280969
2-Methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;3-[[3-methyl-5-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 70096628
2-Methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 70388713
N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;3-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;5-methyl-3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one
CID 90928088
N-(benzenesulfinyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;buta-1,3-diene;ethane
CID 141949121
N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;ethane;2-methylbut-2-ene
CID 141949155
N-(benzenesulfinyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;ethane;3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;prop-1-ene
CID 142024021
[2-[[3-[[4-(Benzenesulfonylcarbamoyl)-2-methoxyphenoxy]methyl]phenoxy]methyl]quinolin-6-yl]methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
CID 142024049
N-(benzenesulfinyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;ethane;3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;bis(prop-1-ene)
CID 142024146
2-Methoxy-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;3-methyl-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 157500431
bis(N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide);1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride
CID 157969610
N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;4-phenyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride
CID 158063559

Frequently Asked Questions

What is the IUPAC name of bis(N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide);methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride?
The IUPAC name of bis(N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide);methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride (CID 158496067) is bis(N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide);methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride.
What is the SMILES notation for bis(N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide);methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride?
The canonical SMILES for bis(N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide);methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride is C.COC(=O)c1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c(OC)c1.COC(=O)c1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1COc1cccc(OCc2ccc3ccccc3n2)c1.COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1COc1cccc(OCc2ccc3ccccc3n2)c1.Cl.O=C(O)c1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1.O=C(O)c1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.
What is the InChIKey of bis(N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide);methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride?
The InChIKey is FKVNALXPNLGPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H26N2O6S.C26H23NO5.C25H21NO4.2C24H19NO4.CH4.ClH/c2*1-37-30-18-23(31(34)33-40(35,36)28-11-3-2-4-12-28)14-15-24(30)20-38-26-9-7-10-27(19-26)39-21-25-17-16-22-8-5-6-13-29(22)32-25;1-29-25-14-19(26(28)30-2)10-11-20(25)16-31-22-7-5-8-23(15-22)32-17-21-13-12-18-6-3-4-9-24(18)27-21;1-28-25(27)20-8-4-6-18(14-20)16-29-22-9-5-10-23(15-22)30-17-21-13-12-19-7-2-3-11-24(19)26-21;26-24(27)19-7-3-5-17(13-19)15-28-21-8-4-9-22(14-21)29-16-20-12-11-18-6-1-2-10-23(18)25-20;26-24(27)19-10-8-17(9-11-19)15-28-21-5-3-6-22(14-21)29-16-20-13-12-18-4-1-2-7-23(18)25-20;;/h2*2-19H,20-21H2,1H3,(H,33,34);3-15H,16-17H2,1-2H3;2-15H,16-17H2,1H3;2*1-14H,15-16H2,(H,26,27);1H4;1H.
What are the key properties of bis(N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide);methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride?
bis(N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide);methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride has a molecular weight of 2761.51 g/mol, XLogP of 32.65, 49 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide);methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride is sourced from PubChem (CID 158496067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).