2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-ethylbutanoic acid;2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-(3-cyclopropyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-[3-(difluoromethoxy)phenyl]quinolin-4-yl]sulfanyl-2-methylpropanoic acid;2-[6-(3-ethoxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid

C123H133F2N5O15S5 — CID 159226428

IUPAC2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-ethylbutanoic acid;2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-(3-cyclopropyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-[3-(difluoromethoxy)phenyl]quinolin-4-yl]sulfanyl-2-methylpropanoic acid;2-[6-(3-ethoxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid
SMILESCC(C)(Sc1ccnc2ccc(-c3cccc(OC(F)F)c3)cc12)C(=O)O.CCC(CC)(Sc1ccnc2ccc(-c3cccc(OC4CCC4)c3)cc12)C(=O)O.CCCC(CCC)(Sc1ccnc2ccc(-c3cccc(OC4CC4)c3)cc12)C(=O)O.CCCC(CCC)(Sc1ccnc2ccc(-c3cccc(OC4CCC4)c3)cc12)C(=O)O.CCCC(CCC)(Sc1ccnc2ccc(-c3cccc(OCC)c3)cc12)C(=O)O
InChIInChI=1S/C27H31NO3S.C26H29NO3S.C25H27NO3S.C25H29NO3S.C20H17F2NO3S/c1-3-14-27(15-4-2,26(29)30)32-25-13-16-28-24-12-11-20(18-23(24)25)19-7-5-10-22(17-19)31-21-8-6-9-21;1-3-13-26(14-4-2,25(28)29)31-24-12-15-27-23-11-8-19(17-22(23)24)18-6-5-7-21(16-18)30-20-9-10-20;1-3-25(4-2,24(27)28)30-23-13-14-26-22-12-11-18(16-21(22)23)17-7-5-10-20(15-17)29-19-8-6-9-19;1-4-13-25(14-5-2,24(27)28)30-23-12-15-26-22-11-10-19(17-21(22)23)18-8-7-9-20(16-18)29-6-3;1-20(2,18(24)25)27-17-8-9-23-16-7-6-13(11-15(16)17)12-4-3-5-14(10-12)26-19(21)22/h5,7,10-13,16-18,21H,3-4,6,8-9,14-15H2,1-2H3,(H,29,30);5-8,11-12,15-17,20H,3-4,9-10,13-14H2,1-2H3,(H,28,29);5,7,10-16,19H,3-4,6,8-9H2,1-2H3,(H,27,28);7-12,15-17H,4-6,13-14H2,1-3H3,(H,27,28);3-11,19H,1-2H3,(H,24,25)
InChIKeyKSINPHJGDNQWBB-UHFFFAOYSA-N
MW2119.77 g/mol
LogP33.15
Rot. Bonds44

About 2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-ethylbutanoic acid;2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-(3-cyclopropyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-[3-(difluoromethoxy)phenyl]quinolin-4-yl]sulfanyl-2-methylpropanoic acid;2-[6-(3-ethoxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid

2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-ethylbutanoic acid;2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-(3-cyclopropyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-[3-(difluoromethoxy)phenyl]quinolin-4-yl]sulfanyl-2-methylpropanoic acid;2-[6-(3-ethoxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid (PubChem CID 159226428) has the molecular formula C123H133F2N5O15S5 and a molecular weight of 2119.77 g/mol. Its IUPAC name is 2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-ethylbutanoic acid;2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-(3-cyclopropyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-[3-(difluoromethoxy)phenyl]quinolin-4-yl]sulfanyl-2-methylpropanoic acid;2-[6-(3-ethoxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid.

Molecular Properties

Compound Name2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-ethylbutanoic acid;2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-(3-cyclopropyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-[3-(difluoromethoxy)phenyl]quinolin-4-yl]sulfanyl-2-methylpropanoic acid;2-[6-(3-ethoxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid
PubChem CID159226428
Molecular FormulaC123H133F2N5O15S5
Molecular Weight2119.77 g/mol
Exact Mass2117.84
IUPAC Name2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-ethylbutanoic acid;2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-(3-cyclopropyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-[3-(difluoromethoxy)phenyl]quinolin-4-yl]sulfanyl-2-methylpropanoic acid;2-[6-(3-ethoxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid
SMILESCC(C)(Sc1ccnc2ccc(-c3cccc(OC(F)F)c3)cc12)C(=O)O.CCC(CC)(Sc1ccnc2ccc(-c3cccc(OC4CCC4)c3)cc12)C(=O)O.CCCC(CCC)(Sc1ccnc2ccc(-c3cccc(OC4CC4)c3)cc12)C(=O)O.CCCC(CCC)(Sc1ccnc2ccc(-c3cccc(OC4CCC4)c3)cc12)C(=O)O.CCCC(CCC)(Sc1ccnc2ccc(-c3cccc(OCC)c3)cc12)C(=O)O
InChIInChI=1S/C27H31NO3S.C26H29NO3S.C25H27NO3S.C25H29NO3S.C20H17F2NO3S/c1-3-14-27(15-4-2,26(29)30)32-25-13-16-28-24-12-11-20(18-23(24)25)19-7-5-10-22(17-19)31-21-8-6-9-21;1-3-13-26(14-4-2,25(28)29)31-24-12-15-27-23-11-8-19(17-22(23)24)18-6-5-7-21(16-18)30-20-9-10-20;1-3-25(4-2,24(27)28)30-23-13-14-26-22-12-11-18(16-21(22)23)17-7-5-10-20(15-17)29-19-8-6-9-19;1-4-13-25(14-5-2,24(27)28)30-23-12-15-26-22-11-10-19(17-21(22)23)18-8-7-9-20(16-18)29-6-3;1-20(2,18(24)25)27-17-8-9-23-16-7-6-13(11-15(16)17)12-4-3-5-14(10-12)26-19(21)22/h5,7,10-13,16-18,21H,3-4,6,8-9,14-15H2,1-2H3,(H,29,30);5-8,11-12,15-17,20H,3-4,9-10,13-14H2,1-2H3,(H,28,29);5,7,10-16,19H,3-4,6,8-9H2,1-2H3,(H,27,28);7-12,15-17H,4-6,13-14H2,1-3H3,(H,27,28);3-11,19H,1-2H3,(H,24,25)
InChIKeyKSINPHJGDNQWBB-UHFFFAOYSA-N
XLogP33.15
TPSA297.10 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds44
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002119.77
LogP ≤ 533.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-ethylbutanoic acid;2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-(3-cyclopropyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-[3-(difluoromethoxy)phenyl]quinolin-4-yl]sulfanyl-2-methylpropanoic acid;2-[6-(3-ethoxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-ethylbutanoic acid;2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-(3-cyclopropyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-[3-(difluoromethoxy)phenyl]quinolin-4-yl]sulfanyl-2-methylpropanoic acid;2-[6-(3-ethoxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid?
The IUPAC name of 2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-ethylbutanoic acid;2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-(3-cyclopropyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-[3-(difluoromethoxy)phenyl]quinolin-4-yl]sulfanyl-2-methylpropanoic acid;2-[6-(3-ethoxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid (CID 159226428) is 2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-ethylbutanoic acid;2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-(3-cyclopropyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-[3-(difluoromethoxy)phenyl]quinolin-4-yl]sulfanyl-2-methylpropanoic acid;2-[6-(3-ethoxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid.
What is the SMILES notation for 2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-ethylbutanoic acid;2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-(3-cyclopropyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-[3-(difluoromethoxy)phenyl]quinolin-4-yl]sulfanyl-2-methylpropanoic acid;2-[6-(3-ethoxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid?
The canonical SMILES for 2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-ethylbutanoic acid;2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-(3-cyclopropyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-[3-(difluoromethoxy)phenyl]quinolin-4-yl]sulfanyl-2-methylpropanoic acid;2-[6-(3-ethoxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid is CC(C)(Sc1ccnc2ccc(-c3cccc(OC(F)F)c3)cc12)C(=O)O.CCC(CC)(Sc1ccnc2ccc(-c3cccc(OC4CCC4)c3)cc12)C(=O)O.CCCC(CCC)(Sc1ccnc2ccc(-c3cccc(OC4CC4)c3)cc12)C(=O)O.CCCC(CCC)(Sc1ccnc2ccc(-c3cccc(OC4CCC4)c3)cc12)C(=O)O.CCCC(CCC)(Sc1ccnc2ccc(-c3cccc(OCC)c3)cc12)C(=O)O.
What is the InChIKey of 2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-ethylbutanoic acid;2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-(3-cyclopropyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-[3-(difluoromethoxy)phenyl]quinolin-4-yl]sulfanyl-2-methylpropanoic acid;2-[6-(3-ethoxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid?
The InChIKey is KSINPHJGDNQWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO3S.C26H29NO3S.C25H27NO3S.C25H29NO3S.C20H17F2NO3S/c1-3-14-27(15-4-2,26(29)30)32-25-13-16-28-24-12-11-20(18-23(24)25)19-7-5-10-22(17-19)31-21-8-6-9-21;1-3-13-26(14-4-2,25(28)29)31-24-12-15-27-23-11-8-19(17-22(23)24)18-6-5-7-21(16-18)30-20-9-10-20;1-3-25(4-2,24(27)28)30-23-13-14-26-22-12-11-18(16-21(22)23)17-7-5-10-20(15-17)29-19-8-6-9-19;1-4-13-25(14-5-2,24(27)28)30-23-12-15-26-22-11-10-19(17-21(22)23)18-8-7-9-20(16-18)29-6-3;1-20(2,18(24)25)27-17-8-9-23-16-7-6-13(11-15(16)17)12-4-3-5-14(10-12)26-19(21)22/h5,7,10-13,16-18,21H,3-4,6,8-9,14-15H2,1-2H3,(H,29,30);5-8,11-12,15-17,20H,3-4,9-10,13-14H2,1-2H3,(H,28,29);5,7,10-16,19H,3-4,6,8-9H2,1-2H3,(H,27,28);7-12,15-17H,4-6,13-14H2,1-3H3,(H,27,28);3-11,19H,1-2H3,(H,24,25).
What are the key properties of 2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-ethylbutanoic acid;2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-(3-cyclopropyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-[3-(difluoromethoxy)phenyl]quinolin-4-yl]sulfanyl-2-methylpropanoic acid;2-[6-(3-ethoxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid?
2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-ethylbutanoic acid;2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-(3-cyclopropyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-[3-(difluoromethoxy)phenyl]quinolin-4-yl]sulfanyl-2-methylpropanoic acid;2-[6-(3-ethoxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid has a molecular weight of 2119.77 g/mol, XLogP of 33.15, 44 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-ethylbutanoic acid;2-[6-(3-cyclobutyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-(3-cyclopropyloxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid;2-[6-[3-(difluoromethoxy)phenyl]quinolin-4-yl]sulfanyl-2-methylpropanoic acid;2-[6-(3-ethoxyphenyl)quinolin-4-yl]sulfanyl-2-propylpentanoic acid is sourced from PubChem (CID 159226428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).