2-[2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenoxy]butan-2-one;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propanoic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline

C107H95N7O14 — CID 162034584

IUPAC2-[2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenoxy]butan-2-one;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propanoic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESCC(=O)C(C)Oc1ccccc1COc1ccc(/C=C/c2ccc3ccccc3n2)cc1.CC(C(=O)O)c1ccccc1CCc1ccc(OCc2ccc3ccccc3n2)cc1.Cc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1OCC(=O)O.c1cc(OCc2cccc(OCc3ncn[nH]3)c2)cc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C28H25NO3.C27H25NO3.C26H22N4O3.C26H23NO5/c1-20(30)21(2)32-28-10-6-4-8-24(28)19-31-26-17-12-22(13-18-26)11-15-25-16-14-23-7-3-5-9-27(23)29-25;1-19(27(29)30)25-8-4-2-6-21(25)13-10-20-11-16-24(17-12-20)31-18-23-15-14-22-7-3-5-9-26(22)28-23;1-2-10-25-20(6-1)11-12-21(29-25)16-32-24-9-4-8-23(14-24)31-15-19-5-3-7-22(13-19)33-17-26-27-18-28-30-26;1-18-6-4-8-20(26(18)32-17-25(28)29)15-30-22-9-5-10-23(14-22)31-16-21-13-12-19-7-2-3-11-24(19)27-21/h3-18,21H,19H2,1-2H3;2-9,11-12,14-17,19H,10,13,18H2,1H3,(H,29,30);1-14,18H,15-17H2,(H,27,28,30);2-14H,15-17H2,1H3,(H,28,29)/b15-11+;;;
InChIKeyYWLZROTYRXXTQF-AKHNGERGSA-N
MW1702.97 g/mol
LogP22.38
Rot. Bonds34

About 2-[2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenoxy]butan-2-one;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propanoic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline

2-[2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenoxy]butan-2-one;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propanoic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline (PubChem CID 162034584) has the molecular formula C107H95N7O14 and a molecular weight of 1702.97 g/mol. Its IUPAC name is 2-[2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenoxy]butan-2-one;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propanoic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenoxy]butan-2-one;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propanoic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
PubChem CID162034584
Molecular FormulaC107H95N7O14
Molecular Weight1702.97 g/mol
Exact Mass1701.69
IUPAC Name2-[2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenoxy]butan-2-one;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propanoic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESCC(=O)C(C)Oc1ccccc1COc1ccc(/C=C/c2ccc3ccccc3n2)cc1.CC(C(=O)O)c1ccccc1CCc1ccc(OCc2ccc3ccccc3n2)cc1.Cc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1OCC(=O)O.c1cc(OCc2cccc(OCc3ncn[nH]3)c2)cc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C28H25NO3.C27H25NO3.C26H22N4O3.C26H23NO5/c1-20(30)21(2)32-28-10-6-4-8-24(28)19-31-26-17-12-22(13-18-26)11-15-25-16-14-23-7-3-5-9-27(23)29-25;1-19(27(29)30)25-8-4-2-6-21(25)13-10-20-11-16-24(17-12-20)31-18-23-15-14-22-7-3-5-9-26(22)28-23;1-2-10-25-20(6-1)11-12-21(29-25)16-32-24-9-4-8-23(14-24)31-15-19-5-3-7-22(13-19)33-17-26-27-18-28-30-26;1-18-6-4-8-20(26(18)32-17-25(28)29)15-30-22-9-5-10-23(14-22)31-16-21-13-12-19-7-2-3-11-24(19)27-21/h3-18,21H,19H2,1-2H3;2-9,11-12,14-17,19H,10,13,18H2,1H3,(H,29,30);1-14,18H,15-17H2,(H,27,28,30);2-14H,15-17H2,1H3,(H,28,29)/b15-11+;;;
InChIKeyYWLZROTYRXXTQF-AKHNGERGSA-N
XLogP22.38
TPSA267.87 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds34
Heavy Atoms128
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001702.97
LogP ≤ 522.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 2-[2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenoxy]butan-2-one;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propanoic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenoxy]butan-2-one;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propanoic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
The IUPAC name of 2-[2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenoxy]butan-2-one;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propanoic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline (CID 162034584) is 2-[2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenoxy]butan-2-one;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propanoic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenoxy]butan-2-one;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propanoic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenoxy]butan-2-one;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propanoic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline is CC(=O)C(C)Oc1ccccc1COc1ccc(/C=C/c2ccc3ccccc3n2)cc1.CC(C(=O)O)c1ccccc1CCc1ccc(OCc2ccc3ccccc3n2)cc1.Cc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1OCC(=O)O.c1cc(OCc2cccc(OCc3ncn[nH]3)c2)cc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenoxy]butan-2-one;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propanoic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
The InChIKey is YWLZROTYRXXTQF-AKHNGERGSA-N. The full InChI is InChI=1S/C28H25NO3.C27H25NO3.C26H22N4O3.C26H23NO5/c1-20(30)21(2)32-28-10-6-4-8-24(28)19-31-26-17-12-22(13-18-26)11-15-25-16-14-23-7-3-5-9-27(23)29-25;1-19(27(29)30)25-8-4-2-6-21(25)13-10-20-11-16-24(17-12-20)31-18-23-15-14-22-7-3-5-9-26(22)28-23;1-2-10-25-20(6-1)11-12-21(29-25)16-32-24-9-4-8-23(14-24)31-15-19-5-3-7-22(13-19)33-17-26-27-18-28-30-26;1-18-6-4-8-20(26(18)32-17-25(28)29)15-30-22-9-5-10-23(14-22)31-16-21-13-12-19-7-2-3-11-24(19)27-21/h3-18,21H,19H2,1-2H3;2-9,11-12,14-17,19H,10,13,18H2,1H3,(H,29,30);1-14,18H,15-17H2,(H,27,28,30);2-14H,15-17H2,1H3,(H,28,29)/b15-11+;;;.
What are the key properties of 2-[2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenoxy]butan-2-one;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propanoic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
2-[2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenoxy]butan-2-one;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propanoic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline has a molecular weight of 1702.97 g/mol, XLogP of 22.38, 34 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenoxy]butan-2-one;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propanoic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 162034584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).