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

C145H128Cl2N6O24S — CID 90928088

IUPACN-(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
SMILESCC(=O)C(C)Oc1ccc(Cl)cc1COc1ccc(OCc2ccc3ccccc3n2)cc1.CC(=O)C(CC(C)C)Oc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1.COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1COc1cccc(OCc2ccc3ccccc3n2)c1.Cc1cccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)c1OCC(=O)O.O=C(O)C(Oc1c(Cl)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccccc1
InChIInChI=1S/C31H24ClNO5.C31H26N2O6S.C30H31NO4.C27H24ClNO4.C26H23NO5/c32-27-11-6-10-23(29(27)38-30(31(34)35)22-8-2-1-3-9-22)19-36-25-15-17-26(18-16-25)37-20-24-14-13-21-7-4-5-12-28(21)33-24;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;1-21(2)17-30(22(3)32)35-29-14-7-5-10-24(29)19-33-26-11-8-12-27(18-26)34-20-25-16-15-23-9-4-6-13-28(23)31-25;1-18(30)19(2)33-27-14-8-22(28)15-21(27)16-31-24-10-12-25(13-11-24)32-17-23-9-7-20-5-3-4-6-26(20)29-23;1-18-5-4-7-20(26(18)32-17-25(28)29)15-30-22-11-13-23(14-12-22)31-16-21-10-9-19-6-2-3-8-24(19)27-21/h1-18,30H,19-20H2,(H,34,35);2-19H,20-21H2,1H3,(H,33,34);4-16,18,21,30H,17,19-20H2,1-3H3;3-15,19H,16-17H2,1-2H3;2-14H,15-17H2,1H3,(H,28,29)
InChIKeyJRPYXAFOEKCCIT-UHFFFAOYSA-N
MW2441.61 g/mol
LogP31.11
Rot. Bonds49

About 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

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 (PubChem CID 90928088) has the molecular formula C145H128Cl2N6O24S and a molecular weight of 2441.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID90928088
Molecular FormulaC145H128Cl2N6O24S
Molecular Weight2441.61 g/mol
Exact Mass2438.81
IUPAC NameN-(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
SMILESCC(=O)C(C)Oc1ccc(Cl)cc1COc1ccc(OCc2ccc3ccccc3n2)cc1.CC(=O)C(CC(C)C)Oc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1.COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1COc1cccc(OCc2ccc3ccccc3n2)c1.Cc1cccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)c1OCC(=O)O.O=C(O)C(Oc1c(Cl)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccccc1
InChIInChI=1S/C31H24ClNO5.C31H26N2O6S.C30H31NO4.C27H24ClNO4.C26H23NO5/c32-27-11-6-10-23(29(27)38-30(31(34)35)22-8-2-1-3-9-22)19-36-25-15-17-26(18-16-25)37-20-24-14-13-21-7-4-5-12-28(21)33-24;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;1-21(2)17-30(22(3)32)35-29-14-7-5-10-24(29)19-33-26-11-8-12-27(18-26)34-20-25-16-15-23-9-4-6-13-28(23)31-25;1-18(30)19(2)33-27-14-8-22(28)15-21(27)16-31-24-10-12-25(13-11-24)32-17-23-9-7-20-5-3-4-6-26(20)29-23;1-18-5-4-7-20(26(18)32-17-25(28)29)15-30-22-11-13-23(14-12-22)31-16-21-10-9-19-6-2-3-8-24(19)27-21/h1-18,30H,19-20H2,(H,34,35);2-19H,20-21H2,1H3,(H,33,34);4-16,18,21,30H,17,19-20H2,1-3H3;3-15,19H,16-17H2,1-2H3;2-14H,15-17H2,1H3,(H,28,29)
InChIKeyJRPYXAFOEKCCIT-UHFFFAOYSA-N
XLogP31.11
TPSA374.88 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds49
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002441.61
LogP ≤ 531.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 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 with MolForge

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Related Compounds

3-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one
CID 18727418
2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propane-1,1-diol
CID 142083985
1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one
CID 59117230
1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol
CID 21014235
3-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]butan-2-one
CID 59117219
2-[2-methyl-6-[[3-(quinoline-2-carbonyloxy)phenoxy]methyl]phenoxy]acetic acid
CID 22241544
3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
CID 57041875
2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[3-[[3-(quinolin-2-yloxymethyl)phenoxy]methyl]phenoxy]pentanedioic acid
CID 159621393
methyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241371
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
CID 57172256
[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl] acetate
CID 69110498

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)C(C)Oc1ccc(Cl)cc1COc1ccc(OCc2ccc3ccccc3n2)cc1.CC(=O)C(CC(C)C)Oc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1.COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1COc1cccc(OCc2ccc3ccccc3n2)c1.Cc1cccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)c1OCC(=O)O.O=C(O)C(Oc1c(Cl)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is JRPYXAFOEKCCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24ClNO5.C31H26N2O6S.C30H31NO4.C27H24ClNO4.C26H23NO5/c32-27-11-6-10-23(29(27)38-30(31(34)35)22-8-2-1-3-9-22)19-36-25-15-17-26(18-16-25)37-20-24-14-13-21-7-4-5-12-28(21)33-24;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;1-21(2)17-30(22(3)32)35-29-14-7-5-10-24(29)19-33-26-11-8-12-27(18-26)34-20-25-16-15-23-9-4-6-13-28(23)31-25;1-18(30)19(2)33-27-14-8-22(28)15-21(27)16-31-24-10-12-25(13-11-24)32-17-23-9-7-20-5-3-4-6-26(20)29-23;1-18-5-4-7-20(26(18)32-17-25(28)29)15-30-22-11-13-23(14-12-22)31-16-21-10-9-19-6-2-3-8-24(19)27-21/h1-18,30H,19-20H2,(H,34,35);2-19H,20-21H2,1H3,(H,33,34);4-16,18,21,30H,17,19-20H2,1-3H3;3-15,19H,16-17H2,1-2H3;2-14H,15-17H2,1H3,(H,28,29).
What are the key properties of 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?
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 has a molecular weight of 2441.61 g/mol, XLogP of 31.11, 49 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90928088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).