2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;1-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]propan-2-one;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline

C106H92N8O8 — CID 159920128

IUPAC2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;1-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]propan-2-one;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline
SMILESC(=C/c1ccc2ccccc2n1)\c1ccc(OCc2ccccc2Cc2nn[nH]n2)cc1.CC(=O)C(C)Oc1ccccc1/C=C\c1ccc(OCc2ccc3ccccc3n2)cc1.CC(=O)Cc1ccccc1COc1ccc(/C=C/c2ccc3ccccc3n2)cc1.CCc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C28H25NO3.C27H23NO2.C26H21N5O.C25H23NO2/c1-20(30)21(2)32-28-10-6-4-8-24(28)14-11-22-12-17-26(18-13-22)31-19-25-16-15-23-7-3-5-9-27(23)29-25;1-20(29)18-23-7-2-3-8-24(23)19-30-26-16-11-21(12-17-26)10-14-25-15-13-22-6-4-5-9-27(22)28-25;1-2-7-22(21(6-1)17-26-28-30-31-29-26)18-32-24-15-10-19(11-16-24)9-13-23-14-12-20-5-3-4-8-25(20)27-23;1-2-19-7-3-4-9-21(19)17-27-23-13-15-24(16-14-23)28-18-22-12-11-20-8-5-6-10-25(20)26-22/h3-18,21H,19H2,1-2H3;2-17H,18-19H2,1H3;1-16H,17-18H2,(H,28,29,30,31);3-16H,2,17-18H2,1H3/b14-11-;14-10+;13-9+;
InChIKeyNYHFUSDMDXJSML-PACDOIAQSA-N
MW1605.95 g/mol
LogP23.50
Rot. Bonds29

About 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;1-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]propan-2-one;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline

2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;1-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]propan-2-one;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline (PubChem CID 159920128) has the molecular formula C106H92N8O8 and a molecular weight of 1605.95 g/mol. Its IUPAC name is 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;1-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]propan-2-one;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline.

Molecular Properties

Compound Name2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;1-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]propan-2-one;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline
PubChem CID159920128
Molecular FormulaC106H92N8O8
Molecular Weight1605.95 g/mol
Exact Mass1604.70
IUPAC Name2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;1-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]propan-2-one;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline
SMILESC(=C/c1ccc2ccccc2n1)\c1ccc(OCc2ccccc2Cc2nn[nH]n2)cc1.CC(=O)C(C)Oc1ccccc1/C=C\c1ccc(OCc2ccc3ccccc3n2)cc1.CC(=O)Cc1ccccc1COc1ccc(/C=C/c2ccc3ccccc3n2)cc1.CCc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C28H25NO3.C27H23NO2.C26H21N5O.C25H23NO2/c1-20(30)21(2)32-28-10-6-4-8-24(28)14-11-22-12-17-26(18-13-22)31-19-25-16-15-23-7-3-5-9-27(23)29-25;1-20(29)18-23-7-2-3-8-24(23)19-30-26-16-11-21(12-17-26)10-14-25-15-13-22-6-4-5-9-27(22)28-25;1-2-7-22(21(6-1)17-26-28-30-31-29-26)18-32-24-15-10-19(11-16-24)9-13-23-14-12-20-5-3-4-8-25(20)27-23;1-2-19-7-3-4-9-21(19)17-27-23-13-15-24(16-14-23)28-18-22-12-11-20-8-5-6-10-25(20)26-22/h3-18,21H,19H2,1-2H3;2-17H,18-19H2,1H3;1-16H,17-18H2,(H,28,29,30,31);3-16H,2,17-18H2,1H3/b14-11-;14-10+;13-9+;
InChIKeyNYHFUSDMDXJSML-PACDOIAQSA-N
XLogP23.50
TPSA195.54 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds29
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001605.95
LogP ≤ 523.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;1-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]propan-2-one;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;1-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]propan-2-one;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline?
The IUPAC name of 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;1-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]propan-2-one;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline (CID 159920128) is 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;1-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]propan-2-one;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline.
What is the SMILES notation for 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;1-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]propan-2-one;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline?
The canonical SMILES for 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;1-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]propan-2-one;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline is C(=C/c1ccc2ccccc2n1)\c1ccc(OCc2ccccc2Cc2nn[nH]n2)cc1.CC(=O)C(C)Oc1ccccc1/C=C\c1ccc(OCc2ccc3ccccc3n2)cc1.CC(=O)Cc1ccccc1COc1ccc(/C=C/c2ccc3ccccc3n2)cc1.CCc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;1-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]propan-2-one;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline?
The InChIKey is NYHFUSDMDXJSML-PACDOIAQSA-N. The full InChI is InChI=1S/C28H25NO3.C27H23NO2.C26H21N5O.C25H23NO2/c1-20(30)21(2)32-28-10-6-4-8-24(28)14-11-22-12-17-26(18-13-22)31-19-25-16-15-23-7-3-5-9-27(23)29-25;1-20(29)18-23-7-2-3-8-24(23)19-30-26-16-11-21(12-17-26)10-14-25-15-13-22-6-4-5-9-27(22)28-25;1-2-7-22(21(6-1)17-26-28-30-31-29-26)18-32-24-15-10-19(11-16-24)9-13-23-14-12-20-5-3-4-8-25(20)27-23;1-2-19-7-3-4-9-21(19)17-27-23-13-15-24(16-14-23)28-18-22-12-11-20-8-5-6-10-25(20)26-22/h3-18,21H,19H2,1-2H3;2-17H,18-19H2,1H3;1-16H,17-18H2,(H,28,29,30,31);3-16H,2,17-18H2,1H3/b14-11-;14-10+;13-9+;.
What are the key properties of 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;1-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]propan-2-one;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline?
2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;1-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]propan-2-one;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline has a molecular weight of 1605.95 g/mol, XLogP of 23.50, 29 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;1-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]propan-2-one;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline is sourced from PubChem (CID 159920128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).