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

C111H100N10O12 — CID 161441980

About 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

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 (PubChem CID 161441980) has the molecular formula C111H100N10O12 and a molecular weight of 1766.08 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161441980
• Molecular Formula: C111H100N10O12
• Molecular Weight: 1766.08 g/mol
• Exact Mass: 1764.75
• IUPAC Name: 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
• SMILES: CCCC(Oc1cccc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c1)C(=O)O.Cn1cc(C(=O)O)c2cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)ccc21.NC(=O)c1cccc(CC2CCc3ccc(OCc4ccc5ccccc5n4)cc3C2)c1.c1cc(CC2CCc3ccc(OCc4ccc5ccccc5n4)cc3C2)cc(-c2nn[nH]n2)c1
• InChI: InChI=1S/C28H25N5O.C28H26N2O2.C28H27NO5.C27H22N2O4/c1-2-7-27-22(5-1)10-12-25(29-27)18-34-26-13-11-21-9-8-20(16-24(21)17-26)14-19-4-3-6-23(15-19)28-30-32-33-31-28;29-28(31)23-6-3-4-19(15-23)14-20-8-9-21-11-13-26(17-24(21)16-20)32-18-25-12-10-22-5-1-2-7-27(22)30-25;1-2-7-27(28(30)31)34-25-12-6-11-24(17-25)32-18-20-8-5-10-23(16-20)33-19-22-15-14-21-9-3-4-13-26(21)29-22;1-29-15-24(27(30)31)23-14-22(11-12-26(23)29)32-16-18-5-4-7-21(13-18)33-17-20-10-9-19-6-2-3-8-25(19)28-20/h1-7,10-13,15,17,20H,8-9,14,16,18H2,(H,30,31,32,33);1-7,10-13,15,17,20H,8-9,14,16,18H2,(H2,29,31);3-6,8-17,27H,2,7,18-19H2,1H3,(H,30,31);2-15H,16-17H2,1H3,(H,30,31)
• InChIKey: VZJVJZVKIADSTO-UHFFFAOYSA-N
• XLogP: 22.21
• TPSA: 293.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 30
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1766.08
LogP ≤ 5	22.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCCC(Oc1cccc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c1)C(=O)O.Cn1cc(C(=O)O)c2cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)ccc21.NC(=O)c1cccc(CC2CCc3ccc(OCc4ccc5ccccc5n4)cc3C2)c1.c1cc(CC2CCc3ccc(OCc4ccc5ccccc5n4)cc3C2)cc(-c2nn[nH]n2)c1.

What is the InChIKey of 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?

The InChIKey is VZJVJZVKIADSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O.C28H26N2O2.C28H27NO5.C27H22N2O4/c1-2-7-27-22(5-1)10-12-25(29-27)18-34-26-13-11-21-9-8-20(16-24(21)17-26)14-19-4-3-6-23(15-19)28-30-32-33-31-28;29-28(31)23-6-3-4-19(15-23)14-20-8-9-21-11-13-26(17-24(21)16-20)32-18-25-12-10-22-5-1-2-7-27(22)30-25;1-2-7-27(28(30)31)34-25-12-6-11-24(17-25)32-18-20-8-5-10-23(16-20)33-19-22-15-14-21-9-3-4-13-26(21)29-22;1-29-15-24(27(30)31)23-14-22(11-12-26(23)29)32-16-18-5-4-7-21(13-18)33-17-20-10-9-19-6-2-3-8-25(19)28-20/h1-7,10-13,15,17,20H,8-9,14,16,18H2,(H,30,31,32,33);1-7,10-13,15,17,20H,8-9,14,16,18H2,(H2,29,31);3-6,8-17,27H,2,7,18-19H2,1H3,(H,30,31);2-15H,16-17H2,1H3,(H,30,31).

What are the key properties of 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?

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 has a molecular weight of 1766.08 g/mol, XLogP of 22.21, 30 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161441980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).