2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;methyl 2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-5-(2H-tetrazol-5-yl)benzoate

C77H65N15O10 — CID 88626042

IUPAC2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;methyl 2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-5-(2H-tetrazol-5-yl)benzoate
SMILESCOC(=O)c1cc(-c2nn[nH]n2)ccc1OCc1cccc(OCc2ccc3ccccc3n2)c1.COc1cc(Cc2nn[nH]n2)ccc1OCc1cccc(OCc2ccc3ccccc3n2)c1.COc1cc(OCc2cccc(OCc3ccc4ccccc4n3)c2)ccc1-c1nn[nH]n1
InChIInChI=1S/C26H21N5O4.C26H23N5O3.C25H21N5O3/c1-33-26(32)22-14-19(25-28-30-31-29-25)10-12-24(22)35-15-17-5-4-7-21(13-17)34-16-20-11-9-18-6-2-3-8-23(18)27-20;1-32-25-14-18(15-26-28-30-31-29-26)9-12-24(25)34-16-19-5-4-7-22(13-19)33-17-21-11-10-20-6-2-3-8-23(20)27-21;1-31-24-14-21(11-12-22(24)25-27-29-30-28-25)32-15-17-5-4-7-20(13-17)33-16-19-10-9-18-6-2-3-8-23(18)26-19/h2-14H,15-16H2,1H3,(H,28,29,30,31);2-14H,15-17H2,1H3,(H,28,29,30,31);2-14H,15-16H2,1H3,(H,27,28,29,30)
InChIKeyUVNPGDZTIBVRRT-UHFFFAOYSA-N
MW1360.46 g/mol
LogP13.45
Rot. Bonds25

About 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;methyl 2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-5-(2H-tetrazol-5-yl)benzoate

2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;methyl 2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-5-(2H-tetrazol-5-yl)benzoate (PubChem CID 88626042) has the molecular formula C77H65N15O10 and a molecular weight of 1360.46 g/mol. Its IUPAC name is 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;methyl 2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-5-(2H-tetrazol-5-yl)benzoate.

Molecular Properties

Compound Name2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;methyl 2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-5-(2H-tetrazol-5-yl)benzoate
PubChem CID88626042
Molecular FormulaC77H65N15O10
Molecular Weight1360.46 g/mol
Exact Mass1359.50
IUPAC Name2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;methyl 2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-5-(2H-tetrazol-5-yl)benzoate
SMILESCOC(=O)c1cc(-c2nn[nH]n2)ccc1OCc1cccc(OCc2ccc3ccccc3n2)c1.COc1cc(Cc2nn[nH]n2)ccc1OCc1cccc(OCc2ccc3ccccc3n2)c1.COc1cc(OCc2cccc(OCc3ccc4ccccc4n3)c2)ccc1-c1nn[nH]n1
InChIInChI=1S/C26H21N5O4.C26H23N5O3.C25H21N5O3/c1-33-26(32)22-14-19(25-28-30-31-29-25)10-12-24(22)35-15-17-5-4-7-21(13-17)34-16-20-11-9-18-6-2-3-8-23(18)27-20;1-32-25-14-18(15-26-28-30-31-29-26)9-12-24(25)34-16-19-5-4-7-22(13-19)33-17-21-11-10-20-6-2-3-8-23(20)27-21;1-31-24-14-21(11-12-22(24)25-27-29-30-28-25)32-15-17-5-4-7-20(13-17)33-16-19-10-9-18-6-2-3-8-23(18)26-19/h2-14H,15-16H2,1H3,(H,28,29,30,31);2-14H,15-17H2,1H3,(H,28,29,30,31);2-14H,15-16H2,1H3,(H,27,28,29,30)
InChIKeyUVNPGDZTIBVRRT-UHFFFAOYSA-N
XLogP13.45
TPSA302.19 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001360.46
LogP ≤ 513.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;methyl 2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-5-(2H-tetrazol-5-yl)benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;methyl 2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-5-(2H-tetrazol-5-yl)benzoate?
The IUPAC name of 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;methyl 2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-5-(2H-tetrazol-5-yl)benzoate (CID 88626042) is 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;methyl 2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-5-(2H-tetrazol-5-yl)benzoate.
What is the SMILES notation for 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;methyl 2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-5-(2H-tetrazol-5-yl)benzoate?
The canonical SMILES for 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;methyl 2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-5-(2H-tetrazol-5-yl)benzoate is COC(=O)c1cc(-c2nn[nH]n2)ccc1OCc1cccc(OCc2ccc3ccccc3n2)c1.COc1cc(Cc2nn[nH]n2)ccc1OCc1cccc(OCc2ccc3ccccc3n2)c1.COc1cc(OCc2cccc(OCc3ccc4ccccc4n3)c2)ccc1-c1nn[nH]n1.
What is the InChIKey of 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;methyl 2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-5-(2H-tetrazol-5-yl)benzoate?
The InChIKey is UVNPGDZTIBVRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O4.C26H23N5O3.C25H21N5O3/c1-33-26(32)22-14-19(25-28-30-31-29-25)10-12-24(22)35-15-17-5-4-7-21(13-17)34-16-20-11-9-18-6-2-3-8-23(18)27-20;1-32-25-14-18(15-26-28-30-31-29-26)9-12-24(25)34-16-19-5-4-7-22(13-19)33-17-21-11-10-20-6-2-3-8-23(20)27-21;1-31-24-14-21(11-12-22(24)25-27-29-30-28-25)32-15-17-5-4-7-20(13-17)33-16-19-10-9-18-6-2-3-8-23(18)26-19/h2-14H,15-16H2,1H3,(H,28,29,30,31);2-14H,15-17H2,1H3,(H,28,29,30,31);2-14H,15-16H2,1H3,(H,27,28,29,30).
What are the key properties of 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;methyl 2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-5-(2H-tetrazol-5-yl)benzoate?
2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;methyl 2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-5-(2H-tetrazol-5-yl)benzoate has a molecular weight of 1360.46 g/mol, XLogP of 13.45, 25 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;methyl 2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-5-(2H-tetrazol-5-yl)benzoate is sourced from PubChem (CID 88626042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).