2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[3-[[3-(quinolin-2-yloxymethyl)phenoxy]methyl]phenoxy]pentanedioic acid

C109H98N4O24 — CID 159621393

IUPAC2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[3-[[3-(quinolin-2-yloxymethyl)phenoxy]methyl]phenoxy]pentanedioic acid
SMILESCC(Oc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O.CCCC(Oc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O.COC(=O)c1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1OCC(=O)O.O=C(O)CCC(Oc1cccc(COc2cccc(COc3ccc4ccccc4n3)c2)c1)C(=O)O
InChIInChI=1S/C28H25NO7.C28H27NO5.C27H23NO7.C26H23NO5/c30-27(31)14-12-25(28(32)33)36-23-9-4-6-20(16-23)17-34-22-8-3-5-19(15-22)18-35-26-13-11-21-7-1-2-10-24(21)29-26;1-2-7-27(28(30)31)34-26-11-6-4-9-21(26)18-32-23-14-16-24(17-15-23)33-19-22-13-12-20-8-3-5-10-25(20)29-22;1-32-27(31)23-13-6-18(14-25(23)35-17-26(29)30)15-33-21-9-11-22(12-10-21)34-16-20-8-7-19-4-2-3-5-24(19)28-20;1-18(26(28)29)32-25-9-5-3-7-20(25)16-30-22-12-14-23(15-13-22)31-17-21-11-10-19-6-2-4-8-24(19)27-21/h1-11,13,15-16,25H,12,14,17-18H2,(H,30,31)(H,32,33);3-6,8-17,27H,2,7,18-19H2,1H3,(H,30,31);2-14H,15-17H2,1H3,(H,29,30);2-15,18H,16-17H2,1H3,(H,28,29)
InChIKeyMNXVUIFUGVTWQZ-UHFFFAOYSA-N
MW1847.99 g/mol
LogP21.00
Rot. Bonds42

About 2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[3-[[3-(quinolin-2-yloxymethyl)phenoxy]methyl]phenoxy]pentanedioic acid

2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[3-[[3-(quinolin-2-yloxymethyl)phenoxy]methyl]phenoxy]pentanedioic acid (PubChem CID 159621393) has the molecular formula C109H98N4O24 and a molecular weight of 1847.99 g/mol. Its IUPAC name is 2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[3-[[3-(quinolin-2-yloxymethyl)phenoxy]methyl]phenoxy]pentanedioic acid.

Molecular Properties

Compound Name2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[3-[[3-(quinolin-2-yloxymethyl)phenoxy]methyl]phenoxy]pentanedioic acid
PubChem CID159621393
Molecular FormulaC109H98N4O24
Molecular Weight1847.99 g/mol
Exact Mass1846.66
IUPAC Name2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[3-[[3-(quinolin-2-yloxymethyl)phenoxy]methyl]phenoxy]pentanedioic acid
SMILESCC(Oc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O.CCCC(Oc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O.COC(=O)c1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1OCC(=O)O.O=C(O)CCC(Oc1cccc(COc2cccc(COc3ccc4ccccc4n3)c2)c1)C(=O)O
InChIInChI=1S/C28H25NO7.C28H27NO5.C27H23NO7.C26H23NO5/c30-27(31)14-12-25(28(32)33)36-23-9-4-6-20(16-23)17-34-22-8-3-5-19(15-22)18-35-26-13-11-21-7-1-2-10-24(21)29-26;1-2-7-27(28(30)31)34-26-11-6-4-9-21(26)18-32-23-14-16-24(17-15-23)33-19-22-13-12-20-8-3-5-10-25(20)29-22;1-32-27(31)23-13-6-18(14-25(23)35-17-26(29)30)15-33-21-9-11-22(12-10-21)34-16-20-8-7-19-4-2-3-5-24(19)28-20;1-18(26(28)29)32-25-9-5-3-7-20(25)16-30-22-12-14-23(15-13-22)31-17-21-11-10-19-6-2-4-8-24(19)27-21/h1-11,13,15-16,25H,12,14,17-18H2,(H,30,31)(H,32,33);3-6,8-17,27H,2,7,18-19H2,1H3,(H,30,31);2-14H,15-17H2,1H3,(H,29,30);2-15,18H,16-17H2,1H3,(H,28,29)
InChIKeyMNXVUIFUGVTWQZ-UHFFFAOYSA-N
XLogP21.00
TPSA375.12 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds42
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001847.99
LogP ≤ 521.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[3-[[3-(quinolin-2-yloxymethyl)phenoxy]methyl]phenoxy]pentanedioic acid with MolForge

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Related Compounds

3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
CID 57172256
1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one
CID 59117230
3-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]butan-2-one
CID 59117219
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616018
ethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
CID 22241520
ethyl 4-methoxy-2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
CID 22241449
3-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one
CID 18727418
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
methyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate
CID 118873800
2-methyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616027
2-[[2-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
CID 173254790

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[3-[[3-(quinolin-2-yloxymethyl)phenoxy]methyl]phenoxy]pentanedioic acid?
The IUPAC name of 2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[3-[[3-(quinolin-2-yloxymethyl)phenoxy]methyl]phenoxy]pentanedioic acid (CID 159621393) is 2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[3-[[3-(quinolin-2-yloxymethyl)phenoxy]methyl]phenoxy]pentanedioic acid.
What is the SMILES notation for 2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[3-[[3-(quinolin-2-yloxymethyl)phenoxy]methyl]phenoxy]pentanedioic acid?
The canonical SMILES for 2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[3-[[3-(quinolin-2-yloxymethyl)phenoxy]methyl]phenoxy]pentanedioic acid is CC(Oc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O.CCCC(Oc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O.COC(=O)c1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1OCC(=O)O.O=C(O)CCC(Oc1cccc(COc2cccc(COc3ccc4ccccc4n3)c2)c1)C(=O)O.
What is the InChIKey of 2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[3-[[3-(quinolin-2-yloxymethyl)phenoxy]methyl]phenoxy]pentanedioic acid?
The InChIKey is MNXVUIFUGVTWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO7.C28H27NO5.C27H23NO7.C26H23NO5/c30-27(31)14-12-25(28(32)33)36-23-9-4-6-20(16-23)17-34-22-8-3-5-19(15-22)18-35-26-13-11-21-7-1-2-10-24(21)29-26;1-2-7-27(28(30)31)34-26-11-6-4-9-21(26)18-32-23-14-16-24(17-15-23)33-19-22-13-12-20-8-3-5-10-25(20)29-22;1-32-27(31)23-13-6-18(14-25(23)35-17-26(29)30)15-33-21-9-11-22(12-10-21)34-16-20-8-7-19-4-2-3-5-24(19)28-20;1-18(26(28)29)32-25-9-5-3-7-20(25)16-30-22-12-14-23(15-13-22)31-17-21-11-10-19-6-2-4-8-24(19)27-21/h1-11,13,15-16,25H,12,14,17-18H2,(H,30,31)(H,32,33);3-6,8-17,27H,2,7,18-19H2,1H3,(H,30,31);2-14H,15-17H2,1H3,(H,29,30);2-15,18H,16-17H2,1H3,(H,28,29).
What are the key properties of 2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[3-[[3-(quinolin-2-yloxymethyl)phenoxy]methyl]phenoxy]pentanedioic acid?
2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[3-[[3-(quinolin-2-yloxymethyl)phenoxy]methyl]phenoxy]pentanedioic acid has a molecular weight of 1847.99 g/mol, XLogP of 21.00, 42 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[3-[[3-(quinolin-2-yloxymethyl)phenoxy]methyl]phenoxy]pentanedioic acid is sourced from PubChem (CID 159621393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).