N-benzyl-3-(7-ethylquinolin-4-yl)oxybenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide

C139H104Br5F4N15O12 — CID 167553956

IUPACN-benzyl-3-(7-ethylquinolin-4-yl)oxybenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCCc1ccc2c(Oc3cccc(C(=O)NCc4ccccc4)c3)ccnc2c1.Cc1c(Oc2ccnc3cc(Br)ccc23)cccc1C(=O)NCc1cccc(F)c1.Cc1c(Oc2ccnc3cc(Br)ccc23)cccc1C(=O)NCc1ccncc1.O=C(NCc1cccc(F)c1)c1ccc(F)c(Oc2ccnc3cc(Br)ccc23)c1.O=C(NCc1ccncc1)c1ccc(F)c(Oc2ccnc3cc(Br)ccc23)c1.O=C(NCc1ccncc1)c1cccc(Oc2ccnc3cc(Br)ccc23)c1
InChIInChI=1S/C25H22N2O2.C24H18BrFN2O2.C23H15BrF2N2O2.C23H18BrN3O2.C22H15BrFN3O2.C22H16BrN3O2/c1-2-18-11-12-22-23(15-18)26-14-13-24(22)29-21-10-6-9-20(16-21)25(28)27-17-19-7-4-3-5-8-19;1-15-19(24(29)28-14-16-4-2-5-18(26)12-16)6-3-7-22(15)30-23-10-11-27-21-13-17(25)8-9-20(21)23;24-16-5-6-18-20(12-16)27-9-8-21(18)30-22-11-15(4-7-19(22)26)23(29)28-13-14-2-1-3-17(25)10-14;1-15-18(23(28)27-14-16-7-10-25-11-8-16)3-2-4-21(15)29-22-9-12-26-20-13-17(24)5-6-19(20)22;23-16-2-3-17-19(12-16)26-10-7-20(17)29-21-11-15(1-4-18(21)24)22(28)27-13-14-5-8-25-9-6-14;23-17-4-5-19-20(13-17)25-11-8-21(19)28-18-3-1-2-16(12-18)22(27)26-14-15-6-9-24-10-7-15/h3-16H,2,17H2,1H3,(H,27,28);2-13H,14H2,1H3,(H,28,29);1-12H,13H2,(H,28,29);2-13H,14H2,1H3,(H,27,28);1-12H,13H2,(H,27,28);1-13H,14H2,(H,26,27)
InChIKeyCTMUCGDHIDEFJU-UHFFFAOYSA-N
MW2651.97 g/mol
LogP33.48
Rot. Bonds31

About N-benzyl-3-(7-ethylquinolin-4-yl)oxybenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide

N-benzyl-3-(7-ethylquinolin-4-yl)oxybenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 167553956) has the molecular formula C139H104Br5F4N15O12 and a molecular weight of 2651.97 g/mol. Its IUPAC name is N-benzyl-3-(7-ethylquinolin-4-yl)oxybenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-3-(7-ethylquinolin-4-yl)oxybenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
PubChem CID167553956
Molecular FormulaC139H104Br5F4N15O12
Molecular Weight2651.97 g/mol
Exact Mass2645.38
IUPAC NameN-benzyl-3-(7-ethylquinolin-4-yl)oxybenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCCc1ccc2c(Oc3cccc(C(=O)NCc4ccccc4)c3)ccnc2c1.Cc1c(Oc2ccnc3cc(Br)ccc23)cccc1C(=O)NCc1cccc(F)c1.Cc1c(Oc2ccnc3cc(Br)ccc23)cccc1C(=O)NCc1ccncc1.O=C(NCc1cccc(F)c1)c1ccc(F)c(Oc2ccnc3cc(Br)ccc23)c1.O=C(NCc1ccncc1)c1ccc(F)c(Oc2ccnc3cc(Br)ccc23)c1.O=C(NCc1ccncc1)c1cccc(Oc2ccnc3cc(Br)ccc23)c1
InChIInChI=1S/C25H22N2O2.C24H18BrFN2O2.C23H15BrF2N2O2.C23H18BrN3O2.C22H15BrFN3O2.C22H16BrN3O2/c1-2-18-11-12-22-23(15-18)26-14-13-24(22)29-21-10-6-9-20(16-21)25(28)27-17-19-7-4-3-5-8-19;1-15-19(24(29)28-14-16-4-2-5-18(26)12-16)6-3-7-22(15)30-23-10-11-27-21-13-17(25)8-9-20(21)23;24-16-5-6-18-20(12-16)27-9-8-21(18)30-22-11-15(4-7-19(22)26)23(29)28-13-14-2-1-3-17(25)10-14;1-15-18(23(28)27-14-16-7-10-25-11-8-16)3-2-4-21(15)29-22-9-12-26-20-13-17(24)5-6-19(20)22;23-16-2-3-17-19(12-16)26-10-7-20(17)29-21-11-15(1-4-18(21)24)22(28)27-13-14-5-8-25-9-6-14;23-17-4-5-19-20(13-17)25-11-8-21(19)28-18-3-1-2-16(12-18)22(27)26-14-15-6-9-24-10-7-15/h3-16H,2,17H2,1H3,(H,27,28);2-13H,14H2,1H3,(H,28,29);1-12H,13H2,(H,28,29);2-13H,14H2,1H3,(H,27,28);1-12H,13H2,(H,27,28);1-13H,14H2,(H,26,27)
InChIKeyCTMUCGDHIDEFJU-UHFFFAOYSA-N
XLogP33.48
TPSA345.99 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds31
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002651.97
LogP ≤ 533.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze N-benzyl-3-(7-ethylquinolin-4-yl)oxybenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(7-ethylquinolin-4-yl)oxybenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-benzyl-3-(7-ethylquinolin-4-yl)oxybenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide (CID 167553956) is N-benzyl-3-(7-ethylquinolin-4-yl)oxybenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-benzyl-3-(7-ethylquinolin-4-yl)oxybenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-benzyl-3-(7-ethylquinolin-4-yl)oxybenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide is CCc1ccc2c(Oc3cccc(C(=O)NCc4ccccc4)c3)ccnc2c1.Cc1c(Oc2ccnc3cc(Br)ccc23)cccc1C(=O)NCc1cccc(F)c1.Cc1c(Oc2ccnc3cc(Br)ccc23)cccc1C(=O)NCc1ccncc1.O=C(NCc1cccc(F)c1)c1ccc(F)c(Oc2ccnc3cc(Br)ccc23)c1.O=C(NCc1ccncc1)c1ccc(F)c(Oc2ccnc3cc(Br)ccc23)c1.O=C(NCc1ccncc1)c1cccc(Oc2ccnc3cc(Br)ccc23)c1.
What is the InChIKey of N-benzyl-3-(7-ethylquinolin-4-yl)oxybenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is CTMUCGDHIDEFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2.C24H18BrFN2O2.C23H15BrF2N2O2.C23H18BrN3O2.C22H15BrFN3O2.C22H16BrN3O2/c1-2-18-11-12-22-23(15-18)26-14-13-24(22)29-21-10-6-9-20(16-21)25(28)27-17-19-7-4-3-5-8-19;1-15-19(24(29)28-14-16-4-2-5-18(26)12-16)6-3-7-22(15)30-23-10-11-27-21-13-17(25)8-9-20(21)23;24-16-5-6-18-20(12-16)27-9-8-21(18)30-22-11-15(4-7-19(22)26)23(29)28-13-14-2-1-3-17(25)10-14;1-15-18(23(28)27-14-16-7-10-25-11-8-16)3-2-4-21(15)29-22-9-12-26-20-13-17(24)5-6-19(20)22;23-16-2-3-17-19(12-16)26-10-7-20(17)29-21-11-15(1-4-18(21)24)22(28)27-13-14-5-8-25-9-6-14;23-17-4-5-19-20(13-17)25-11-8-21(19)28-18-3-1-2-16(12-18)22(27)26-14-15-6-9-24-10-7-15/h3-16H,2,17H2,1H3,(H,27,28);2-13H,14H2,1H3,(H,28,29);1-12H,13H2,(H,28,29);2-13H,14H2,1H3,(H,27,28);1-12H,13H2,(H,27,28);1-13H,14H2,(H,26,27).
What are the key properties of N-benzyl-3-(7-ethylquinolin-4-yl)oxybenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide?
N-benzyl-3-(7-ethylquinolin-4-yl)oxybenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 2651.97 g/mol, XLogP of 33.48, 31 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(7-ethylquinolin-4-yl)oxybenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-(7-bromoquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 167553956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).