4-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline

C165H178N16O16 — CID 160644778

IUPAC4-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline
SMILESCC(CCC(=O)O)Cc1ccc(OCc2ccc3ccccc3n2)cc1.CC(CCc1ccc(OCc2ccc3ccccc3n2)cc1)Cc1nn[nH]n1.CCCC(CCC(=O)O)Cc1ccc(OCc2ccc3ccccc3n2)cc1.CCCC(CCC(=O)O)Cc1cccc(OCc2ccc3ccccc3n2)c1.NC(=O)CC1CCCC1Cc1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)CC1(CCc2ccc(OCc3ccc4ccccc4n3)cc2)CCCC1.c1ccc2nc(COc3ccc(CC4CCCC4Cc4nn[nH]n4)cc3)ccc2c1
InChIInChI=1S/C25H27NO3.C24H25N5O.C24H26N2O2.2C24H27NO3.C22H23N5O.C22H23NO3/c27-24(28)17-25(14-3-4-15-25)16-13-19-7-11-22(12-8-19)29-18-21-10-9-20-5-1-2-6-23(20)26-21;1-2-7-23-18(4-1)10-11-21(25-23)16-30-22-12-8-17(9-13-22)14-19-5-3-6-20(19)15-24-26-28-29-27-24;25-24(27)15-20-6-3-5-19(20)14-17-8-12-22(13-9-17)28-16-21-11-10-18-4-1-2-7-23(18)26-21;1-2-6-18(11-14-24(26)27)15-19-7-5-9-22(16-19)28-17-21-13-12-20-8-3-4-10-23(20)25-21;1-2-5-18(10-15-24(26)27)16-19-8-13-22(14-9-19)28-17-21-12-11-20-6-3-4-7-23(20)25-21;1-16(14-22-24-26-27-25-22)6-7-17-8-12-20(13-9-17)28-15-19-11-10-18-4-2-3-5-21(18)23-19;1-16(6-13-22(24)25)14-17-7-11-20(12-8-17)26-15-19-10-9-18-4-2-3-5-21(18)23-19/h1-2,5-12H,3-4,13-18H2,(H,27,28);1-2,4,7-13,19-20H,3,5-6,14-16H2,(H,26,27,28,29);1-2,4,7-13,19-20H,3,5-6,14-16H2,(H2,25,27);3-5,7-10,12-13,16,18H,2,6,11,14-15,17H2,1H3,(H,26,27);3-4,6-9,11-14,18H,2,5,10,15-17H2,1H3,(H,26,27);2-5,8-13,16H,6-7,14-15H2,1H3,(H,24,25,26,27);2-5,7-12,16H,6,13-15H2,1H3,(H,24,25)
InChIKeyRJQJHTPFEDJIRH-UHFFFAOYSA-N
MW2641.33 g/mol
LogP35.23
Rot. Bonds58

About 4-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline

4-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline (PubChem CID 160644778) has the molecular formula C165H178N16O16 and a molecular weight of 2641.33 g/mol. Its IUPAC name is 4-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name4-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline
PubChem CID160644778
Molecular FormulaC165H178N16O16
Molecular Weight2641.33 g/mol
Exact Mass2639.36
IUPAC Name4-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline
SMILESCC(CCC(=O)O)Cc1ccc(OCc2ccc3ccccc3n2)cc1.CC(CCc1ccc(OCc2ccc3ccccc3n2)cc1)Cc1nn[nH]n1.CCCC(CCC(=O)O)Cc1ccc(OCc2ccc3ccccc3n2)cc1.CCCC(CCC(=O)O)Cc1cccc(OCc2ccc3ccccc3n2)c1.NC(=O)CC1CCCC1Cc1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)CC1(CCc2ccc(OCc3ccc4ccccc4n3)cc2)CCCC1.c1ccc2nc(COc3ccc(CC4CCCC4Cc4nn[nH]n4)cc3)ccc2c1
InChIInChI=1S/C25H27NO3.C24H25N5O.C24H26N2O2.2C24H27NO3.C22H23N5O.C22H23NO3/c27-24(28)17-25(14-3-4-15-25)16-13-19-7-11-22(12-8-19)29-18-21-10-9-20-5-1-2-6-23(20)26-21;1-2-7-23-18(4-1)10-11-21(25-23)16-30-22-12-8-17(9-13-22)14-19-5-3-6-20(19)15-24-26-28-29-27-24;25-24(27)15-20-6-3-5-19(20)14-17-8-12-22(13-9-17)28-16-21-11-10-18-4-1-2-7-23(18)26-21;1-2-6-18(11-14-24(26)27)15-19-7-5-9-22(16-19)28-17-21-13-12-20-8-3-4-10-23(20)25-21;1-2-5-18(10-15-24(26)27)16-19-8-13-22(14-9-19)28-17-21-12-11-20-6-3-4-7-23(20)25-21;1-16(14-22-24-26-27-25-22)6-7-17-8-12-20(13-9-17)28-15-19-11-10-18-4-2-3-5-21(18)23-19;1-16(6-13-22(24)25)14-17-7-11-20(12-8-17)26-15-19-10-9-18-4-2-3-5-21(18)23-19/h1-2,5-12H,3-4,13-18H2,(H,27,28);1-2,4,7-13,19-20H,3,5-6,14-16H2,(H,26,27,28,29);1-2,4,7-13,19-20H,3,5-6,14-16H2,(H2,25,27);3-5,7-10,12-13,16,18H,2,6,11,14-15,17H2,1H3,(H,26,27);3-4,6-9,11-14,18H,2,5,10,15-17H2,1H3,(H,26,27);2-5,8-13,16H,6-7,14-15H2,1H3,(H,24,25,26,27);2-5,7-12,16H,6,13-15H2,1H3,(H,24,25)
InChIKeyRJQJHTPFEDJIRH-UHFFFAOYSA-N
XLogP35.23
TPSA456.05 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds58
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002641.33
LogP ≤ 535.23
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Analyze 4-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline?
The IUPAC name of 4-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline (CID 160644778) is 4-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 4-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline?
The canonical SMILES for 4-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline is CC(CCC(=O)O)Cc1ccc(OCc2ccc3ccccc3n2)cc1.CC(CCc1ccc(OCc2ccc3ccccc3n2)cc1)Cc1nn[nH]n1.CCCC(CCC(=O)O)Cc1ccc(OCc2ccc3ccccc3n2)cc1.CCCC(CCC(=O)O)Cc1cccc(OCc2ccc3ccccc3n2)c1.NC(=O)CC1CCCC1Cc1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)CC1(CCc2ccc(OCc3ccc4ccccc4n3)cc2)CCCC1.c1ccc2nc(COc3ccc(CC4CCCC4Cc4nn[nH]n4)cc3)ccc2c1.
What is the InChIKey of 4-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline?
The InChIKey is RJQJHTPFEDJIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3.C24H25N5O.C24H26N2O2.2C24H27NO3.C22H23N5O.C22H23NO3/c27-24(28)17-25(14-3-4-15-25)16-13-19-7-11-22(12-8-19)29-18-21-10-9-20-5-1-2-6-23(20)26-21;1-2-7-23-18(4-1)10-11-21(25-23)16-30-22-12-8-17(9-13-22)14-19-5-3-6-20(19)15-24-26-28-29-27-24;25-24(27)15-20-6-3-5-19(20)14-17-8-12-22(13-9-17)28-16-21-11-10-18-4-1-2-7-23(18)26-21;1-2-6-18(11-14-24(26)27)15-19-7-5-9-22(16-19)28-17-21-13-12-20-8-3-4-10-23(20)25-21;1-2-5-18(10-15-24(26)27)16-19-8-13-22(14-9-19)28-17-21-12-11-20-6-3-4-7-23(20)25-21;1-16(14-22-24-26-27-25-22)6-7-17-8-12-20(13-9-17)28-15-19-11-10-18-4-2-3-5-21(18)23-19;1-16(6-13-22(24)25)14-17-7-11-20(12-8-17)26-15-19-10-9-18-4-2-3-5-21(18)23-19/h1-2,5-12H,3-4,13-18H2,(H,27,28);1-2,4,7-13,19-20H,3,5-6,14-16H2,(H,26,27,28,29);1-2,4,7-13,19-20H,3,5-6,14-16H2,(H2,25,27);3-5,7-10,12-13,16,18H,2,6,11,14-15,17H2,1H3,(H,26,27);3-4,6-9,11-14,18H,2,5,10,15-17H2,1H3,(H,26,27);2-5,8-13,16H,6-7,14-15H2,1H3,(H,24,25,26,27);2-5,7-12,16H,6,13-15H2,1H3,(H,24,25).
What are the key properties of 4-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline?
4-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline has a molecular weight of 2641.33 g/mol, XLogP of 35.23, 58 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]cyclopentyl]acetamide;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)cyclopentyl]methyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 160644778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).