methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline

C106H101N9O12 — CID 160889150

IUPACmethane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline
SMILESC.C.C.C.O=C(O)COc1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1.O=C(O)Cc1ccccc1CCc1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)Cc1ccccc1Cc1ccc(OCc2ccc3ccccc3n2)cc1.c1cc(Cn2ccc3ccc(OCc4ccc5ccccc5n4)cc32)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C26H20N6O.C26H23NO3.C25H21NO5.C25H21NO3.4CH4/c1-2-7-24-19(5-1)8-10-22(27-24)17-33-23-11-9-20-12-13-32(25(20)15-23)16-18-4-3-6-21(14-18)26-28-30-31-29-26;28-26(29)17-22-7-2-1-5-20(22)12-9-19-10-15-24(16-11-19)30-18-23-14-13-21-6-3-4-8-25(21)27-23;27-25(28)17-31-21-9-5-18(6-10-21)15-29-22-11-13-23(14-12-22)30-16-20-8-7-19-3-1-2-4-24(19)26-20;27-25(28)16-21-7-2-1-6-20(21)15-18-9-13-23(14-10-18)29-17-22-12-11-19-5-3-4-8-24(19)26-22;;;;/h1-15H,16-17H2,(H,28,29,30,31);1-8,10-11,13-16H,9,12,17-18H2,(H,28,29);1-14H,15-17H2,(H,27,28);1-14H,15-17H2,(H,27,28);4*1H4
InChIKeySOAMSILDJZZYRW-UHFFFAOYSA-N
MW1693.02 g/mol
LogP22.66
Rot. Bonds30

About methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline

methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline (PubChem CID 160889150) has the molecular formula C106H101N9O12 and a molecular weight of 1693.02 g/mol. Its IUPAC name is methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline.

Molecular Properties

Compound Namemethane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline
PubChem CID160889150
Molecular FormulaC106H101N9O12
Molecular Weight1693.02 g/mol
Exact Mass1691.76
IUPAC Namemethane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline
SMILESC.C.C.C.O=C(O)COc1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1.O=C(O)Cc1ccccc1CCc1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)Cc1ccccc1Cc1ccc(OCc2ccc3ccccc3n2)cc1.c1cc(Cn2ccc3ccc(OCc4ccc5ccccc5n4)cc32)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C26H20N6O.C26H23NO3.C25H21NO5.C25H21NO3.4CH4/c1-2-7-24-19(5-1)8-10-22(27-24)17-33-23-11-9-20-12-13-32(25(20)15-23)16-18-4-3-6-21(14-18)26-28-30-31-29-26;28-26(29)17-22-7-2-1-5-20(22)12-9-19-10-15-24(16-11-19)30-18-23-14-13-21-6-3-4-8-25(21)27-23;27-25(28)17-31-21-9-5-18(6-10-21)15-29-22-11-13-23(14-12-22)30-16-20-8-7-19-3-1-2-4-24(19)26-20;27-25(28)16-21-7-2-1-6-20(21)15-18-9-13-23(14-10-18)29-17-22-12-11-19-5-3-4-8-24(19)26-22;;;;/h1-15H,16-17H2,(H,28,29,30,31);1-8,10-11,13-16H,9,12,17-18H2,(H,28,29);1-14H,15-17H2,(H,27,28);1-14H,15-17H2,(H,27,28);4*1H4
InChIKeySOAMSILDJZZYRW-UHFFFAOYSA-N
XLogP22.66
TPSA278.23 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds30
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001693.02
LogP ≤ 522.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline with MolForge

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Related Compounds

methane;2-[[4-[[2-methoxy-5-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline
CID 158278601
2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline
CID 158314701
ethyl 2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetate;methane;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline
CID 161214186
1-methyl-5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]indole-3-carboxylic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]pentanoic acid;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzamide;2-[[7-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]quinoline
CID 161441980
methane;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;1-methyl-5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]indole-3-carboxylic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[7-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]quinoline
CID 161538882
ethyl 2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetate;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline
CID 161988703

Frequently Asked Questions

What is the IUPAC name of methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline?
The IUPAC name of methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline (CID 160889150) is methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline.
What is the SMILES notation for methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline?
The canonical SMILES for methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline is C.C.C.C.O=C(O)COc1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1.O=C(O)Cc1ccccc1CCc1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)Cc1ccccc1Cc1ccc(OCc2ccc3ccccc3n2)cc1.c1cc(Cn2ccc3ccc(OCc4ccc5ccccc5n4)cc32)cc(-c2nn[nH]n2)c1.
What is the InChIKey of methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline?
The InChIKey is SOAMSILDJZZYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O.C26H23NO3.C25H21NO5.C25H21NO3.4CH4/c1-2-7-24-19(5-1)8-10-22(27-24)17-33-23-11-9-20-12-13-32(25(20)15-23)16-18-4-3-6-21(14-18)26-28-30-31-29-26;28-26(29)17-22-7-2-1-5-20(22)12-9-19-10-15-24(16-11-19)30-18-23-14-13-21-6-3-4-8-25(21)27-23;27-25(28)17-31-21-9-5-18(6-10-21)15-29-22-11-13-23(14-12-22)30-16-20-8-7-19-3-1-2-4-24(19)26-20;27-25(28)16-21-7-2-1-6-20(21)15-18-9-13-23(14-10-18)29-17-22-12-11-19-5-3-4-8-24(19)26-22;;;;/h1-15H,16-17H2,(H,28,29,30,31);1-8,10-11,13-16H,9,12,17-18H2,(H,28,29);1-14H,15-17H2,(H,27,28);1-14H,15-17H2,(H,27,28);4*1H4.
What are the key properties of methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline?
methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline has a molecular weight of 1693.02 g/mol, XLogP of 22.66, 30 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline is sourced from PubChem (CID 160889150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).