2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline

C130H122N16O14 — CID 162224958

IUPAC2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESCC(CCc1nn[nH]n1)Cc1ccc(OCc2ccc3ccccc3n2)cc1.CCCC(Oc1c(C)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O.CCCC(Oc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1)C(C)=O.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(-c2ncn[nH]2)c1.c1ccc(Cc2nn[nH]n2)c(COc2ccc(OCc3ccc4ccccc4n3)cc2)c1
InChIInChI=1S/C29H29NO5.C29H29NO4.C25H21N5O2.C25H20N4O2.C22H23N5O/c1-3-7-27(29(31)32)35-28-20(2)8-6-10-22(28)18-33-24-14-16-25(17-15-24)34-19-23-13-12-21-9-4-5-11-26(21)30-23;1-3-8-29(21(2)31)34-27-13-6-9-22(17-27)19-32-25-11-7-12-26(18-25)33-20-24-16-15-23-10-4-5-14-28(23)30-24;1-2-7-20(19(6-1)15-25-27-29-30-28-25)16-31-22-11-13-23(14-12-22)32-17-21-10-9-18-5-3-4-8-24(18)26-21;1-2-7-24-19(5-1)8-9-21(28-24)16-31-23-12-10-22(11-13-23)30-15-18-4-3-6-20(14-18)25-26-17-27-29-25;1-16(6-13-22-24-26-27-25-22)14-17-7-11-20(12-8-17)28-15-19-10-9-18-4-2-3-5-21(18)23-19/h4-6,8-17,27H,3,7,18-19H2,1-2H3,(H,31,32);4-7,9-18,29H,3,8,19-20H2,1-2H3;1-14H,15-17H2,(H,27,28,29,30);1-14,17H,15-16H2,(H,26,27,29);2-5,7-12,16H,6,13-15H2,1H3,(H,24,25,26,27)
InChIKeyZUQAPLLSJRURTG-UHFFFAOYSA-N
MW2132.50 g/mol
LogP26.68
Rot. Bonds45

About 2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline

2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline (PubChem CID 162224958) has the molecular formula C130H122N16O14 and a molecular weight of 2132.50 g/mol. Its IUPAC name is 2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
PubChem CID162224958
Molecular FormulaC130H122N16O14
Molecular Weight2132.50 g/mol
Exact Mass2130.93
IUPAC Name2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESCC(CCc1nn[nH]n1)Cc1ccc(OCc2ccc3ccccc3n2)cc1.CCCC(Oc1c(C)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O.CCCC(Oc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1)C(C)=O.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(-c2ncn[nH]2)c1.c1ccc(Cc2nn[nH]n2)c(COc2ccc(OCc3ccc4ccccc4n3)cc2)c1
InChIInChI=1S/C29H29NO5.C29H29NO4.C25H21N5O2.C25H20N4O2.C22H23N5O/c1-3-7-27(29(31)32)35-28-20(2)8-6-10-22(28)18-33-24-14-16-25(17-15-24)34-19-23-13-12-21-9-4-5-11-26(21)30-23;1-3-8-29(21(2)31)34-27-13-6-9-22(17-27)19-32-25-11-7-12-26(18-25)33-20-24-16-15-23-10-4-5-14-28(23)30-24;1-2-7-20(19(6-1)15-25-27-29-30-28-25)16-31-22-11-13-23(14-12-22)32-17-21-10-9-18-5-3-4-8-24(18)26-21;1-2-7-24-19(5-1)8-9-21(28-24)16-31-23-12-10-22(11-13-23)30-15-18-4-3-6-20(14-18)25-26-17-27-29-25;1-16(6-13-22-24-26-27-25-22)14-17-7-11-20(12-8-17)28-15-19-10-9-18-4-2-3-5-21(18)23-19/h4-6,8-17,27H,3,7,18-19H2,1-2H3,(H,31,32);4-7,9-18,29H,3,8,19-20H2,1-2H3;1-14H,15-17H2,(H,27,28,29,30);1-14,17H,15-16H2,(H,26,27,29);2-5,7-12,16H,6,13-15H2,1H3,(H,24,25,26,27)
InChIKeyZUQAPLLSJRURTG-UHFFFAOYSA-N
XLogP26.68
TPSA370.84 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds45
Heavy Atoms160
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002132.50
LogP ≤ 526.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline?
The IUPAC name of 2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline (CID 162224958) is 2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline is CC(CCc1nn[nH]n1)Cc1ccc(OCc2ccc3ccccc3n2)cc1.CCCC(Oc1c(C)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O.CCCC(Oc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1)C(C)=O.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(-c2ncn[nH]2)c1.c1ccc(Cc2nn[nH]n2)c(COc2ccc(OCc3ccc4ccccc4n3)cc2)c1.
What is the InChIKey of 2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline?
The InChIKey is ZUQAPLLSJRURTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO5.C29H29NO4.C25H21N5O2.C25H20N4O2.C22H23N5O/c1-3-7-27(29(31)32)35-28-20(2)8-6-10-22(28)18-33-24-14-16-25(17-15-24)34-19-23-13-12-21-9-4-5-11-26(21)30-23;1-3-8-29(21(2)31)34-27-13-6-9-22(17-27)19-32-25-11-7-12-26(18-25)33-20-24-16-15-23-10-4-5-14-28(23)30-24;1-2-7-20(19(6-1)15-25-27-29-30-28-25)16-31-22-11-13-23(14-12-22)32-17-21-10-9-18-5-3-4-8-24(18)26-21;1-2-7-24-19(5-1)8-9-21(28-24)16-31-23-12-10-22(11-13-23)30-15-18-4-3-6-20(14-18)25-26-17-27-29-25;1-16(6-13-22-24-26-27-25-22)14-17-7-11-20(12-8-17)28-15-19-10-9-18-4-2-3-5-21(18)23-19/h4-6,8-17,27H,3,7,18-19H2,1-2H3,(H,31,32);4-7,9-18,29H,3,8,19-20H2,1-2H3;1-14H,15-17H2,(H,27,28,29,30);1-14,17H,15-16H2,(H,26,27,29);2-5,7-12,16H,6,13-15H2,1H3,(H,24,25,26,27).
What are the key properties of 2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline?
2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline has a molecular weight of 2132.50 g/mol, XLogP of 26.68, 45 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 162224958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).