N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;3-[7-(1-ethyl-3,5-dimethylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(2-methoxypyrimidin-5-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-(1H-pyrazol-4-yl)quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-[7-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]oxybenzamide

C225H182F4N40O17 — CID 167578755

IUPACN-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;3-[7-(1-ethyl-3,5-dimethylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(2-methoxypyrimidin-5-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-(1H-pyrazol-4-yl)quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-[7-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]oxybenzamide
SMILESCCn1nc(C)c(-c2ccc3c(Oc4cccc(C(=O)NCc5ccncc5)c4C)ccnc3c2)c1C.COc1ncc(-c2ccc3c(Oc4cccc(C(=O)NCc5ccncc5)c4C)ccnc3c2)cn1.Cc1c(Oc2ccnc3cc(-c4cn[nH]c4)ccc23)cccc1C(=O)NCc1ccncc1.Cc1c(Oc2ccnc3cc(-c4cncnc4)ccc23)cccc1C(=O)NCc1cc(F)nc(F)c1.Cc1c(Oc2ccnc3cc(-c4cncnc4)ccc23)cccc1C(=O)NCc1ccc(C#N)c(F)c1.Cc1c(Oc2ccnc3cc(-c4cncnc4)ccc23)cccc1C(=O)NCc1ccncc1.Cc1c(Oc2ccnc3cc(-c4cnn(C)c4)ccc23)cccc1C(=O)NCc1ccc(C#N)c(F)c1.Cc1nn(C)c(C)c1-c1ccc2c(Oc3cccc(C(=O)NCc4ccncc4)c3C)ccnc2c1
InChIInChI=1S/C30H29N5O2.C29H22FN5O2.C29H20FN5O2.C29H27N5O2.C28H23N5O3.C27H19F2N5O2.C27H21N5O2.C26H21N5O2/c1-5-35-21(4)29(20(3)34-35)23-9-10-25-26(17-23)32-16-13-28(25)37-27-8-6-7-24(19(27)2)30(36)33-18-22-11-14-31-15-12-22;1-18-23(29(36)33-15-19-6-7-21(14-31)25(30)12-19)4-3-5-27(18)37-28-10-11-32-26-13-20(8-9-24(26)28)22-16-34-35(2)17-22;1-18-23(29(36)35-14-19-5-6-21(13-31)25(30)11-19)3-2-4-27(18)37-28-9-10-34-26-12-20(7-8-24(26)28)22-15-32-17-33-16-22;1-18-23(29(35)32-17-21-10-13-30-14-11-21)6-5-7-26(18)36-27-12-15-31-25-16-22(8-9-24(25)27)28-19(2)33-34(4)20(28)3;1-18-22(27(34)31-15-19-8-11-29-12-9-19)4-3-5-25(18)36-26-10-13-30-24-14-20(6-7-23(24)26)21-16-32-28(35-2)33-17-21;1-16-20(27(35)33-12-17-9-25(28)34-26(29)10-17)3-2-4-23(16)36-24-7-8-32-22-11-18(5-6-21(22)24)19-13-30-15-31-14-19;1-18-22(27(33)32-14-19-7-10-28-11-8-19)3-2-4-25(18)34-26-9-12-31-24-13-20(5-6-23(24)26)21-15-29-17-30-16-21;1-17-21(26(32)29-14-18-7-10-27-11-8-18)3-2-4-24(17)33-25-9-12-28-23-13-19(5-6-22(23)25)20-15-30-31-16-20/h6-17H,5,18H2,1-4H3,(H,33,36);3-13,16-17H,15H2,1-2H3,(H,33,36);2-12,15-17H,14H2,1H3,(H,35,36);5-16H,17H2,1-4H3,(H,32,35);3-14,16-17H,15H2,1-2H3,(H,31,34);2-11,13-15H,12H2,1H3,(H,33,35);2-13,15-17H,14H2,1H3,(H,32,33);2-13,15-16H,14H2,1H3,(H,29,32)(H,30,31)
InChIKeyGWQFIIALTGLQOY-UHFFFAOYSA-N
MW3794.19 g/mol
LogP43.94
Rot. Bonds50

About N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;3-[7-(1-ethyl-3,5-dimethylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(2-methoxypyrimidin-5-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-(1H-pyrazol-4-yl)quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-[7-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]oxybenzamide

N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;3-[7-(1-ethyl-3,5-dimethylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(2-methoxypyrimidin-5-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-(1H-pyrazol-4-yl)quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-[7-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]oxybenzamide (PubChem CID 167578755) has the molecular formula C225H182F4N40O17 and a molecular weight of 3794.19 g/mol. Its IUPAC name is N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;3-[7-(1-ethyl-3,5-dimethylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(2-methoxypyrimidin-5-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-(1H-pyrazol-4-yl)quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-[7-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;3-[7-(1-ethyl-3,5-dimethylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(2-methoxypyrimidin-5-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-(1H-pyrazol-4-yl)quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-[7-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]oxybenzamide
PubChem CID167578755
Molecular FormulaC225H182F4N40O17
Molecular Weight3794.19 g/mol
Exact Mass3791.45
IUPAC NameN-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;3-[7-(1-ethyl-3,5-dimethylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(2-methoxypyrimidin-5-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-(1H-pyrazol-4-yl)quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-[7-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]oxybenzamide
SMILESCCn1nc(C)c(-c2ccc3c(Oc4cccc(C(=O)NCc5ccncc5)c4C)ccnc3c2)c1C.COc1ncc(-c2ccc3c(Oc4cccc(C(=O)NCc5ccncc5)c4C)ccnc3c2)cn1.Cc1c(Oc2ccnc3cc(-c4cn[nH]c4)ccc23)cccc1C(=O)NCc1ccncc1.Cc1c(Oc2ccnc3cc(-c4cncnc4)ccc23)cccc1C(=O)NCc1cc(F)nc(F)c1.Cc1c(Oc2ccnc3cc(-c4cncnc4)ccc23)cccc1C(=O)NCc1ccc(C#N)c(F)c1.Cc1c(Oc2ccnc3cc(-c4cncnc4)ccc23)cccc1C(=O)NCc1ccncc1.Cc1c(Oc2ccnc3cc(-c4cnn(C)c4)ccc23)cccc1C(=O)NCc1ccc(C#N)c(F)c1.Cc1nn(C)c(C)c1-c1ccc2c(Oc3cccc(C(=O)NCc4ccncc4)c3C)ccnc2c1
InChIInChI=1S/C30H29N5O2.C29H22FN5O2.C29H20FN5O2.C29H27N5O2.C28H23N5O3.C27H19F2N5O2.C27H21N5O2.C26H21N5O2/c1-5-35-21(4)29(20(3)34-35)23-9-10-25-26(17-23)32-16-13-28(25)37-27-8-6-7-24(19(27)2)30(36)33-18-22-11-14-31-15-12-22;1-18-23(29(36)33-15-19-6-7-21(14-31)25(30)12-19)4-3-5-27(18)37-28-10-11-32-26-13-20(8-9-24(26)28)22-16-34-35(2)17-22;1-18-23(29(36)35-14-19-5-6-21(13-31)25(30)11-19)3-2-4-27(18)37-28-9-10-34-26-12-20(7-8-24(26)28)22-15-32-17-33-16-22;1-18-23(29(35)32-17-21-10-13-30-14-11-21)6-5-7-26(18)36-27-12-15-31-25-16-22(8-9-24(25)27)28-19(2)33-34(4)20(28)3;1-18-22(27(34)31-15-19-8-11-29-12-9-19)4-3-5-25(18)36-26-10-13-30-24-14-20(6-7-23(24)26)21-16-32-28(35-2)33-17-21;1-16-20(27(35)33-12-17-9-25(28)34-26(29)10-17)3-2-4-23(16)36-24-7-8-32-22-11-18(5-6-21(22)24)19-13-30-15-31-14-19;1-18-22(27(33)32-14-19-7-10-28-11-8-19)3-2-4-25(18)34-26-9-12-31-24-13-20(5-6-23(24)26)21-15-29-17-30-16-21;1-17-21(26(32)29-14-18-7-10-27-11-8-18)3-2-4-24(17)33-25-9-12-28-23-13-19(5-6-22(23)25)20-15-30-31-16-20/h6-17H,5,18H2,1-4H3,(H,33,36);3-13,16-17H,15H2,1-2H3,(H,33,36);2-12,15-17H,14H2,1H3,(H,35,36);5-16H,17H2,1-4H3,(H,32,35);3-14,16-17H,15H2,1-2H3,(H,31,34);2-11,13-15H,12H2,1H3,(H,33,35);2-13,15-17H,14H2,1H3,(H,32,33);2-13,15-16H,14H2,1H3,(H,29,32)(H,30,31)
InChIKeyGWQFIIALTGLQOY-UHFFFAOYSA-N
XLogP43.94
TPSA729.17 Ų
H-Bond Donors9
H-Bond Acceptors48
Rotatable Bonds50
Heavy Atoms286
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003794.19
LogP ≤ 543.94
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;3-[7-(1-ethyl-3,5-dimethylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(2-methoxypyrimidin-5-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-(1H-pyrazol-4-yl)quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-[7-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]oxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;3-[7-(1-ethyl-3,5-dimethylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(2-methoxypyrimidin-5-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-(1H-pyrazol-4-yl)quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-[7-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]oxybenzamide?
The IUPAC name of N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;3-[7-(1-ethyl-3,5-dimethylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(2-methoxypyrimidin-5-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-(1H-pyrazol-4-yl)quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-[7-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]oxybenzamide (CID 167578755) is N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;3-[7-(1-ethyl-3,5-dimethylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(2-methoxypyrimidin-5-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-(1H-pyrazol-4-yl)quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-[7-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;3-[7-(1-ethyl-3,5-dimethylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(2-methoxypyrimidin-5-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-(1H-pyrazol-4-yl)quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-[7-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]oxybenzamide?
The canonical SMILES for N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;3-[7-(1-ethyl-3,5-dimethylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(2-methoxypyrimidin-5-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-(1H-pyrazol-4-yl)quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-[7-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]oxybenzamide is CCn1nc(C)c(-c2ccc3c(Oc4cccc(C(=O)NCc5ccncc5)c4C)ccnc3c2)c1C.COc1ncc(-c2ccc3c(Oc4cccc(C(=O)NCc5ccncc5)c4C)ccnc3c2)cn1.Cc1c(Oc2ccnc3cc(-c4cn[nH]c4)ccc23)cccc1C(=O)NCc1ccncc1.Cc1c(Oc2ccnc3cc(-c4cncnc4)ccc23)cccc1C(=O)NCc1cc(F)nc(F)c1.Cc1c(Oc2ccnc3cc(-c4cncnc4)ccc23)cccc1C(=O)NCc1ccc(C#N)c(F)c1.Cc1c(Oc2ccnc3cc(-c4cncnc4)ccc23)cccc1C(=O)NCc1ccncc1.Cc1c(Oc2ccnc3cc(-c4cnn(C)c4)ccc23)cccc1C(=O)NCc1ccc(C#N)c(F)c1.Cc1nn(C)c(C)c1-c1ccc2c(Oc3cccc(C(=O)NCc4ccncc4)c3C)ccnc2c1.
What is the InChIKey of N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;3-[7-(1-ethyl-3,5-dimethylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(2-methoxypyrimidin-5-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-(1H-pyrazol-4-yl)quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-[7-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]oxybenzamide?
The InChIKey is GWQFIIALTGLQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O2.C29H22FN5O2.C29H20FN5O2.C29H27N5O2.C28H23N5O3.C27H19F2N5O2.C27H21N5O2.C26H21N5O2/c1-5-35-21(4)29(20(3)34-35)23-9-10-25-26(17-23)32-16-13-28(25)37-27-8-6-7-24(19(27)2)30(36)33-18-22-11-14-31-15-12-22;1-18-23(29(36)33-15-19-6-7-21(14-31)25(30)12-19)4-3-5-27(18)37-28-10-11-32-26-13-20(8-9-24(26)28)22-16-34-35(2)17-22;1-18-23(29(36)35-14-19-5-6-21(13-31)25(30)11-19)3-2-4-27(18)37-28-9-10-34-26-12-20(7-8-24(26)28)22-15-32-17-33-16-22;1-18-23(29(35)32-17-21-10-13-30-14-11-21)6-5-7-26(18)36-27-12-15-31-25-16-22(8-9-24(25)27)28-19(2)33-34(4)20(28)3;1-18-22(27(34)31-15-19-8-11-29-12-9-19)4-3-5-25(18)36-26-10-13-30-24-14-20(6-7-23(24)26)21-16-32-28(35-2)33-17-21;1-16-20(27(35)33-12-17-9-25(28)34-26(29)10-17)3-2-4-23(16)36-24-7-8-32-22-11-18(5-6-21(22)24)19-13-30-15-31-14-19;1-18-22(27(33)32-14-19-7-10-28-11-8-19)3-2-4-25(18)34-26-9-12-31-24-13-20(5-6-23(24)26)21-15-29-17-30-16-21;1-17-21(26(32)29-14-18-7-10-27-11-8-18)3-2-4-24(17)33-25-9-12-28-23-13-19(5-6-22(23)25)20-15-30-31-16-20/h6-17H,5,18H2,1-4H3,(H,33,36);3-13,16-17H,15H2,1-2H3,(H,33,36);2-12,15-17H,14H2,1H3,(H,35,36);5-16H,17H2,1-4H3,(H,32,35);3-14,16-17H,15H2,1-2H3,(H,31,34);2-11,13-15H,12H2,1H3,(H,33,35);2-13,15-17H,14H2,1H3,(H,32,33);2-13,15-16H,14H2,1H3,(H,29,32)(H,30,31).
What are the key properties of N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;3-[7-(1-ethyl-3,5-dimethylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(2-methoxypyrimidin-5-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-(1H-pyrazol-4-yl)quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-[7-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]oxybenzamide?
N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;3-[7-(1-ethyl-3,5-dimethylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(2-methoxypyrimidin-5-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-(1H-pyrazol-4-yl)quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-[7-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]oxybenzamide has a molecular weight of 3794.19 g/mol, XLogP of 43.94, 50 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;3-[7-(1-ethyl-3,5-dimethylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(2-methoxypyrimidin-5-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-(1H-pyrazol-4-yl)quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-[7-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]oxybenzamide is sourced from PubChem (CID 167578755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).