2,4-dimethyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;ethyl 4-[4-[(6-phenoxy-2-pyridinyl)methoxy]phenoxy]butanoate;2-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;4-(quinolin-2-ylmethoxy)benzoic acid;5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid

C152H155N11O21 — CID 161123769

IUPAC2,4-dimethyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;ethyl 4-[4-[(6-phenoxy-2-pyridinyl)methoxy]phenoxy]butanoate;2-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;4-(quinolin-2-ylmethoxy)benzoic acid;5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid
SMILESCC(CCCC(=O)O)c1cccc(OCc2ccc3ccccc3n2)c1.CC(CCCc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)O.CC(CCc1cccc(OCc2ccc3ccccc3n2)c1)CC(=O)O.CC(CCc1nn[nH]n1)Cc1cccc(OCc2ccc3ccccc3n2)c1.CC(Cc1cccc(OCc2ccc3ccccc3n2)c1)CC(C)C(=O)O.CCOC(=O)CCCOc1ccc(OCc2cccc(Oc3ccccc3)n2)cc1.O=C(O)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C24H25NO5.C23H25NO3.C22H23N5O.3C22H23NO3.C17H13NO3/c1-2-27-24(26)12-7-17-28-20-13-15-21(16-14-20)29-18-19-8-6-11-23(25-19)30-22-9-4-3-5-10-22;1-16(12-17(2)23(25)26)13-18-6-5-8-21(14-18)27-15-20-11-10-19-7-3-4-9-22(19)24-20;1-16(9-12-22-24-26-27-25-22)13-17-5-4-7-20(14-17)28-15-19-11-10-18-6-2-3-8-21(18)23-19;1-16(22(24)25)6-4-7-17-8-5-10-20(14-17)26-15-19-13-12-18-9-2-3-11-21(18)23-19;1-16(6-4-11-22(24)25)18-8-5-9-20(14-18)26-15-19-13-12-17-7-2-3-10-21(17)23-19;1-16(13-22(24)25)9-10-17-5-4-7-20(14-17)26-15-19-12-11-18-6-2-3-8-21(18)23-19;19-17(20)13-6-9-15(10-7-13)21-11-14-8-5-12-3-1-2-4-16(12)18-14/h3-6,8-11,13-16H,2,7,12,17-18H2,1H3;3-11,14,16-17H,12-13,15H2,1-2H3,(H,25,26);2-8,10-11,14,16H,9,12-13,15H2,1H3,(H,24,25,26,27);2-3,5,8-14,16H,4,6-7,15H2,1H3,(H,24,25);2-3,5,7-10,12-14,16H,4,6,11,15H2,1H3,(H,24,25);2-8,11-12,14,16H,9-10,13,15H2,1H3,(H,24,25);1-10H,11H2,(H,19,20)
InChIKeyULHDGKXWLHFMTI-UHFFFAOYSA-N
MW2471.97 g/mol
LogP32.82
Rot. Bonds55

About 2,4-dimethyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;ethyl 4-[4-[(6-phenoxy-2-pyridinyl)methoxy]phenoxy]butanoate;2-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;4-(quinolin-2-ylmethoxy)benzoic acid;5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid

2,4-dimethyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;ethyl 4-[4-[(6-phenoxy-2-pyridinyl)methoxy]phenoxy]butanoate;2-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;4-(quinolin-2-ylmethoxy)benzoic acid;5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid (PubChem CID 161123769) has the molecular formula C152H155N11O21 and a molecular weight of 2471.97 g/mol. Its IUPAC name is 2,4-dimethyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;ethyl 4-[4-[(6-phenoxy-2-pyridinyl)methoxy]phenoxy]butanoate;2-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;4-(quinolin-2-ylmethoxy)benzoic acid;5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid.

Molecular Properties

Compound Name2,4-dimethyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;ethyl 4-[4-[(6-phenoxy-2-pyridinyl)methoxy]phenoxy]butanoate;2-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;4-(quinolin-2-ylmethoxy)benzoic acid;5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid
PubChem CID161123769
Molecular FormulaC152H155N11O21
Molecular Weight2471.97 g/mol
Exact Mass2470.14
IUPAC Name2,4-dimethyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;ethyl 4-[4-[(6-phenoxy-2-pyridinyl)methoxy]phenoxy]butanoate;2-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;4-(quinolin-2-ylmethoxy)benzoic acid;5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid
SMILESCC(CCCC(=O)O)c1cccc(OCc2ccc3ccccc3n2)c1.CC(CCCc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)O.CC(CCc1cccc(OCc2ccc3ccccc3n2)c1)CC(=O)O.CC(CCc1nn[nH]n1)Cc1cccc(OCc2ccc3ccccc3n2)c1.CC(Cc1cccc(OCc2ccc3ccccc3n2)c1)CC(C)C(=O)O.CCOC(=O)CCCOc1ccc(OCc2cccc(Oc3ccccc3)n2)cc1.O=C(O)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C24H25NO5.C23H25NO3.C22H23N5O.3C22H23NO3.C17H13NO3/c1-2-27-24(26)12-7-17-28-20-13-15-21(16-14-20)29-18-19-8-6-11-23(25-19)30-22-9-4-3-5-10-22;1-16(12-17(2)23(25)26)13-18-6-5-8-21(14-18)27-15-20-11-10-19-7-3-4-9-22(19)24-20;1-16(9-12-22-24-26-27-25-22)13-17-5-4-7-20(14-17)28-15-19-11-10-18-6-2-3-8-21(18)23-19;1-16(22(24)25)6-4-7-17-8-5-10-20(14-17)26-15-19-13-12-18-9-2-3-11-21(18)23-19;1-16(6-4-11-22(24)25)18-8-5-9-20(14-18)26-15-19-13-12-17-7-2-3-10-21(17)23-19;1-16(13-22(24)25)9-10-17-5-4-7-20(14-17)26-15-19-12-11-18-6-2-3-8-21(18)23-19;19-17(20)13-6-9-15(10-7-13)21-11-14-8-5-12-3-1-2-4-16(12)18-14/h3-6,8-11,13-16H,2,7,12,17-18H2,1H3;3-11,14,16-17H,12-13,15H2,1-2H3,(H,25,26);2-8,10-11,14,16H,9,12-13,15H2,1H3,(H,24,25,26,27);2-3,5,8-14,16H,4,6-7,15H2,1H3,(H,24,25);2-3,5,7-10,12-14,16H,4,6,11,15H2,1H3,(H,24,25);2-8,11-12,14,16H,9-10,13,15H2,1H3,(H,24,25);1-10H,11H2,(H,19,20)
InChIKeyULHDGKXWLHFMTI-UHFFFAOYSA-N
XLogP32.82
TPSA440.56 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds55
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002471.97
LogP ≤ 532.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;ethyl 4-[4-[(6-phenoxy-2-pyridinyl)methoxy]phenoxy]butanoate;2-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;4-(quinolin-2-ylmethoxy)benzoic acid;5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;ethyl 4-[4-[(6-phenoxy-2-pyridinyl)methoxy]phenoxy]butanoate;2-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;4-(quinolin-2-ylmethoxy)benzoic acid;5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid?
The IUPAC name of 2,4-dimethyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;ethyl 4-[4-[(6-phenoxy-2-pyridinyl)methoxy]phenoxy]butanoate;2-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;4-(quinolin-2-ylmethoxy)benzoic acid;5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid (CID 161123769) is 2,4-dimethyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;ethyl 4-[4-[(6-phenoxy-2-pyridinyl)methoxy]phenoxy]butanoate;2-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;4-(quinolin-2-ylmethoxy)benzoic acid;5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid.
What is the SMILES notation for 2,4-dimethyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;ethyl 4-[4-[(6-phenoxy-2-pyridinyl)methoxy]phenoxy]butanoate;2-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;4-(quinolin-2-ylmethoxy)benzoic acid;5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid?
The canonical SMILES for 2,4-dimethyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;ethyl 4-[4-[(6-phenoxy-2-pyridinyl)methoxy]phenoxy]butanoate;2-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;4-(quinolin-2-ylmethoxy)benzoic acid;5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid is CC(CCCC(=O)O)c1cccc(OCc2ccc3ccccc3n2)c1.CC(CCCc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)O.CC(CCc1cccc(OCc2ccc3ccccc3n2)c1)CC(=O)O.CC(CCc1nn[nH]n1)Cc1cccc(OCc2ccc3ccccc3n2)c1.CC(Cc1cccc(OCc2ccc3ccccc3n2)c1)CC(C)C(=O)O.CCOC(=O)CCCOc1ccc(OCc2cccc(Oc3ccccc3)n2)cc1.O=C(O)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2,4-dimethyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;ethyl 4-[4-[(6-phenoxy-2-pyridinyl)methoxy]phenoxy]butanoate;2-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;4-(quinolin-2-ylmethoxy)benzoic acid;5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid?
The InChIKey is ULHDGKXWLHFMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5.C23H25NO3.C22H23N5O.3C22H23NO3.C17H13NO3/c1-2-27-24(26)12-7-17-28-20-13-15-21(16-14-20)29-18-19-8-6-11-23(25-19)30-22-9-4-3-5-10-22;1-16(12-17(2)23(25)26)13-18-6-5-8-21(14-18)27-15-20-11-10-19-7-3-4-9-22(19)24-20;1-16(9-12-22-24-26-27-25-22)13-17-5-4-7-20(14-17)28-15-19-11-10-18-6-2-3-8-21(18)23-19;1-16(22(24)25)6-4-7-17-8-5-10-20(14-17)26-15-19-13-12-18-9-2-3-11-21(18)23-19;1-16(6-4-11-22(24)25)18-8-5-9-20(14-18)26-15-19-13-12-17-7-2-3-10-21(17)23-19;1-16(13-22(24)25)9-10-17-5-4-7-20(14-17)26-15-19-12-11-18-6-2-3-8-21(18)23-19;19-17(20)13-6-9-15(10-7-13)21-11-14-8-5-12-3-1-2-4-16(12)18-14/h3-6,8-11,13-16H,2,7,12,17-18H2,1H3;3-11,14,16-17H,12-13,15H2,1-2H3,(H,25,26);2-8,10-11,14,16H,9,12-13,15H2,1H3,(H,24,25,26,27);2-3,5,8-14,16H,4,6-7,15H2,1H3,(H,24,25);2-3,5,7-10,12-14,16H,4,6,11,15H2,1H3,(H,24,25);2-8,11-12,14,16H,9-10,13,15H2,1H3,(H,24,25);1-10H,11H2,(H,19,20).
What are the key properties of 2,4-dimethyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;ethyl 4-[4-[(6-phenoxy-2-pyridinyl)methoxy]phenoxy]butanoate;2-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;4-(quinolin-2-ylmethoxy)benzoic acid;5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid?
2,4-dimethyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;ethyl 4-[4-[(6-phenoxy-2-pyridinyl)methoxy]phenoxy]butanoate;2-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;4-(quinolin-2-ylmethoxy)benzoic acid;5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid has a molecular weight of 2471.97 g/mol, XLogP of 32.82, 55 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;ethyl 4-[4-[(6-phenoxy-2-pyridinyl)methoxy]phenoxy]butanoate;2-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;4-(quinolin-2-ylmethoxy)benzoic acid;5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid is sourced from PubChem (CID 161123769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).