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

C110H105N5O19S — CID 158333991

IUPACN-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
SMILESC.C.C.C.COC(=O)c1ccc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c(OC)c1.COC(=O)c1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1OCc1cccc(OCc2ccc3ccccc3n2)c1.O=C(O)c1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1
InChIInChI=1S/C31H26N2O6S.C26H23NO5.C25H21NO4.C24H19NO4.4CH4/c1-37-30-19-24(31(34)33-40(35,36)27-11-3-2-4-12-27)15-17-29(30)39-20-22-8-7-10-26(18-22)38-21-25-16-14-23-9-5-6-13-28(23)32-25;1-29-25-15-20(26(28)30-2)11-13-24(25)32-16-18-6-5-8-22(14-18)31-17-21-12-10-19-7-3-4-9-23(19)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;;;;/h2-19H,20-21H2,1H3,(H,33,34);3-15H,16-17H2,1-2H3;2-15H,16-17H2,1H3;1-14H,15-16H2,(H,26,27);4*1H4
InChIKeyGQIXSNPTKUZVLO-UHFFFAOYSA-N
MW1833.13 g/mol
LogP23.52
Rot. Bonds32

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

N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid (PubChem CID 158333991) has the molecular formula C110H105N5O19S and a molecular weight of 1833.13 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
PubChem CID158333991
Molecular FormulaC110H105N5O19S
Molecular Weight1833.13 g/mol
Exact Mass1831.71
IUPAC NameN-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
SMILESC.C.C.C.COC(=O)c1ccc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c(OC)c1.COC(=O)c1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1OCc1cccc(OCc2ccc3ccccc3n2)c1.O=C(O)c1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1
InChIInChI=1S/C31H26N2O6S.C26H23NO5.C25H21NO4.C24H19NO4.4CH4/c1-37-30-19-24(31(34)33-40(35,36)27-11-3-2-4-12-27)15-17-29(30)39-20-22-8-7-10-26(18-22)38-21-25-16-14-23-9-5-6-13-28(23)32-25;1-29-25-15-20(26(28)30-2)11-13-24(25)32-16-18-6-5-8-22(14-18)31-17-21-12-10-19-7-3-4-9-23(19)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;;;;/h2-19H,20-21H2,1H3,(H,33,34);3-15H,16-17H2,1-2H3;2-15H,16-17H2,1H3;1-14H,15-16H2,(H,26,27);4*1H4
InChIKeyGQIXSNPTKUZVLO-UHFFFAOYSA-N
XLogP23.52
TPSA297.00 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds32
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001833.13
LogP ≤ 523.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

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

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Related Compounds

N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide
CID 9959349
N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;hydrochloride
CID 10210583
2,6-Dimethyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;4-methoxy-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid
CID 70388708
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
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
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
3-Methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;4-methoxy-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid
CID 159200434
N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methane;3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]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 159743303
2,4-Dimethyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;ethyl 4-[4-[(6-phenoxy-2-pyridinyl)methoxy]phenoxy]butanoate;methane;3-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;4-(quinolin-2-ylmethoxy)benzoic acid;4-[3-(quinolin-2-ylmethoxy)phenoxy]pentanoic acid;5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid
CID 160119073

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid?
The IUPAC name of N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid (CID 158333991) is N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid.
What is the SMILES notation for N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid?
The canonical SMILES for N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid is C.C.C.C.COC(=O)c1ccc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c(OC)c1.COC(=O)c1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1OCc1cccc(OCc2ccc3ccccc3n2)c1.O=C(O)c1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.
What is the InChIKey of N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid?
The InChIKey is GQIXSNPTKUZVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O6S.C26H23NO5.C25H21NO4.C24H19NO4.4CH4/c1-37-30-19-24(31(34)33-40(35,36)27-11-3-2-4-12-27)15-17-29(30)39-20-22-8-7-10-26(18-22)38-21-25-16-14-23-9-5-6-13-28(23)32-25;1-29-25-15-20(26(28)30-2)11-13-24(25)32-16-18-6-5-8-22(14-18)31-17-21-12-10-19-7-3-4-9-23(19)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;;;;/h2-19H,20-21H2,1H3,(H,33,34);3-15H,16-17H2,1-2H3;2-15H,16-17H2,1H3;1-14H,15-16H2,(H,26,27);4*1H4.
What are the key properties of N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid?
N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid has a molecular weight of 1833.13 g/mol, XLogP of 23.52, 32 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid is sourced from PubChem (CID 158333991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).