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

C170H203N15O17 — CID 160526666

IUPACmethane;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;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[2-[1-(2H-tetrazol-5-ylmethyl)cyclopentyl]ethyl]phenoxy]methyl]quinoline
SMILESC.C.C.C.C.C.C.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.O=C(O)CC1(CCc2ccc(OCc3ccc4ccccc4n3)cc2)CCCC1.O=C(O)CCCCc1ccc(OCc2ccc3ccccc3n2)cc1.c1ccc2nc(COc3ccc(CCC4(Cc5nn[nH]n5)CCCC4)cc3)ccc2c1
InChIInChI=1S/C25H27N5O.C25H27NO3.2C24H27NO3.C22H23N5O.C22H23NO3.C21H21NO3.7CH4/c1-2-6-23-20(5-1)9-10-21(26-23)18-31-22-11-7-19(8-12-22)13-16-25(14-3-4-15-25)17-24-27-29-30-28-24;27-24(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;1-2-6-18(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;23-21(24)8-4-1-5-16-9-13-19(14-10-16)25-15-18-12-11-17-6-2-3-7-20(17)22-18;;;;;;;/h1-2,5-12H,3-4,13-18H2,(H,27,28,29,30);1-2,5-12H,3-4,13-18H2,(H,27,28);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);2-3,6-7,9-14H,1,4-5,8,15H2,(H,23,24);7*1H4
InChIKeyQUZKFNLAFFCWBC-UHFFFAOYSA-N
MW2728.58 g/mol
LogP40.18
Rot. Bonds60

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

methane;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;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[2-[1-(2H-tetrazol-5-ylmethyl)cyclopentyl]ethyl]phenoxy]methyl]quinoline (PubChem CID 160526666) has the molecular formula C170H203N15O17 and a molecular weight of 2728.58 g/mol. Its IUPAC name is methane;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;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[2-[1-(2H-tetrazol-5-ylmethyl)cyclopentyl]ethyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Namemethane;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;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[2-[1-(2H-tetrazol-5-ylmethyl)cyclopentyl]ethyl]phenoxy]methyl]quinoline
PubChem CID160526666
Molecular FormulaC170H203N15O17
Molecular Weight2728.58 g/mol
Exact Mass2726.55
IUPAC Namemethane;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;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[2-[1-(2H-tetrazol-5-ylmethyl)cyclopentyl]ethyl]phenoxy]methyl]quinoline
SMILESC.C.C.C.C.C.C.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.O=C(O)CC1(CCc2ccc(OCc3ccc4ccccc4n3)cc2)CCCC1.O=C(O)CCCCc1ccc(OCc2ccc3ccccc3n2)cc1.c1ccc2nc(COc3ccc(CCC4(Cc5nn[nH]n5)CCCC4)cc3)ccc2c1
InChIInChI=1S/C25H27N5O.C25H27NO3.2C24H27NO3.C22H23N5O.C22H23NO3.C21H21NO3.7CH4/c1-2-6-23-20(5-1)9-10-21(26-23)18-31-22-11-7-19(8-12-22)13-16-25(14-3-4-15-25)17-24-27-29-30-28-24;27-24(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;1-2-6-18(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;23-21(24)8-4-1-5-16-9-13-19(14-10-16)25-15-18-12-11-17-6-2-3-7-20(17)22-18;;;;;;;/h1-2,5-12H,3-4,13-18H2,(H,27,28,29,30);1-2,5-12H,3-4,13-18H2,(H,27,28);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);2-3,6-7,9-14H,1,4-5,8,15H2,(H,23,24);7*1H4
InChIKeyQUZKFNLAFFCWBC-UHFFFAOYSA-N
XLogP40.18
TPSA450.26 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds60
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002728.58
LogP ≤ 540.18
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of methane;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;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[2-[1-(2H-tetrazol-5-ylmethyl)cyclopentyl]ethyl]phenoxy]methyl]quinoline?
The IUPAC name of methane;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;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[2-[1-(2H-tetrazol-5-ylmethyl)cyclopentyl]ethyl]phenoxy]methyl]quinoline (CID 160526666) is methane;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;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[2-[1-(2H-tetrazol-5-ylmethyl)cyclopentyl]ethyl]phenoxy]methyl]quinoline.
What is the SMILES notation for methane;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;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[2-[1-(2H-tetrazol-5-ylmethyl)cyclopentyl]ethyl]phenoxy]methyl]quinoline?
The canonical SMILES for methane;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;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[2-[1-(2H-tetrazol-5-ylmethyl)cyclopentyl]ethyl]phenoxy]methyl]quinoline is C.C.C.C.C.C.C.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.O=C(O)CC1(CCc2ccc(OCc3ccc4ccccc4n3)cc2)CCCC1.O=C(O)CCCCc1ccc(OCc2ccc3ccccc3n2)cc1.c1ccc2nc(COc3ccc(CCC4(Cc5nn[nH]n5)CCCC4)cc3)ccc2c1.
What is the InChIKey of methane;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;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[2-[1-(2H-tetrazol-5-ylmethyl)cyclopentyl]ethyl]phenoxy]methyl]quinoline?
The InChIKey is QUZKFNLAFFCWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O.C25H27NO3.2C24H27NO3.C22H23N5O.C22H23NO3.C21H21NO3.7CH4/c1-2-6-23-20(5-1)9-10-21(26-23)18-31-22-11-7-19(8-12-22)13-16-25(14-3-4-15-25)17-24-27-29-30-28-24;27-24(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;1-2-6-18(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;23-21(24)8-4-1-5-16-9-13-19(14-10-16)25-15-18-12-11-17-6-2-3-7-20(17)22-18;;;;;;;/h1-2,5-12H,3-4,13-18H2,(H,27,28,29,30);1-2,5-12H,3-4,13-18H2,(H,27,28);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);2-3,6-7,9-14H,1,4-5,8,15H2,(H,23,24);7*1H4.
What are the key properties of methane;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;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[2-[1-(2H-tetrazol-5-ylmethyl)cyclopentyl]ethyl]phenoxy]methyl]quinoline?
methane;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;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[2-[1-(2H-tetrazol-5-ylmethyl)cyclopentyl]ethyl]phenoxy]methyl]quinoline has a molecular weight of 2728.58 g/mol, XLogP of 40.18, 60 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for methane;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;4-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]heptanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[[4-[2-[1-(2H-tetrazol-5-ylmethyl)cyclopentyl]ethyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 160526666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).