4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-(trifluoromethyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide

C237H254Cl4F3N27O32 — CID 161049784

IUPAC4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-(trifluoromethyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(C(F)(F)F)c3)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(C)c3)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(Cl)c3Cl)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)cc3C)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)cc3Cl)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C)c(C)c3)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C)cc3C)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C)cc3Cl)ccnc2cc1OC
InChIInChI=1S/C30H30F3N3O4.2C30H34N4O4.2C30H33N3O4.C29H29Cl2N3O4.C29H31ClN4O4.C29H30ClN3O4/c1-29(2,3)27-11-17(16-36-27)10-19(37)12-18-6-7-20(13-23(18)30(31,32)33)40-25-8-9-35-24-15-26(39-5)22(14-21(24)25)28(38)34-4;1-18-12-22(9-8-19(18)13-21(35)14-20-15-28(30(2,3)4)33-34(20)6)38-26-10-11-32-25-17-27(37-7)24(16-23(25)26)29(36)31-5;1-18-12-19(13-21(35)14-20-15-28(30(2,3)4)33-34(20)6)8-9-25(18)38-26-10-11-32-24-17-27(37-7)23(16-22(24)26)29(36)31-5;1-18-11-22(8-7-20(18)14-21(34)12-19-13-28(33-17-19)30(2,3)4)37-26-9-10-32-25-16-27(36-6)24(15-23(25)26)29(35)31-5;1-18-11-19(12-21(34)13-20-14-28(33-17-20)30(2,3)4)7-8-25(18)37-26-9-10-32-24-16-27(36-6)23(15-22(24)26)29(35)31-5;1-29(2,3)25-11-16(15-34-25)10-18(35)12-17-6-7-23(27(31)26(17)30)38-22-8-9-33-21-14-24(37-5)20(13-19(21)22)28(36)32-4;1-29(2,3)27-14-18(34(5)33-27)13-19(35)11-17-7-8-25(22(30)12-17)38-24-9-10-32-23-16-26(37-6)21(15-20(23)24)28(36)31-4;1-29(2,3)27-13-18(16-33-27)11-19(34)10-17-6-7-25(22(30)12-17)37-24-8-9-32-23-15-26(36-5)21(14-20(23)24)28(35)31-4/h6-9,11,13-15H,10,12,16H2,1-5H3,(H,34,38);2*8-12,15-17H,13-14H2,1-7H3,(H,31,36);7-11,13,15-16H,12,14,17H2,1-6H3,(H,31,35);7-11,14-16H,12-13,17H2,1-6H3,(H,31,35);6-9,11,13-14H,10,12,15H2,1-5H3,(H,32,36);7-10,12,14-16H,11,13H2,1-6H3,(H,31,36);6-9,12-15H,10-11,16H2,1-5H3,(H,31,35)
InChIKeyUBZCUQWPFSQDQM-UHFFFAOYSA-N
MW4191.60 g/mol
LogP45.83
Rot. Bonds64

About 4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-(trifluoromethyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide

4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-(trifluoromethyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide (PubChem CID 161049784) has the molecular formula C237H254Cl4F3N27O32 and a molecular weight of 4191.60 g/mol. Its IUPAC name is 4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-(trifluoromethyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-(trifluoromethyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
PubChem CID161049784
Molecular FormulaC237H254Cl4F3N27O32
Molecular Weight4191.60 g/mol
Exact Mass4186.78
IUPAC Name4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-(trifluoromethyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(C(F)(F)F)c3)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(C)c3)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(Cl)c3Cl)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)cc3C)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)cc3Cl)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C)c(C)c3)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C)cc3C)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C)cc3Cl)ccnc2cc1OC
InChIInChI=1S/C30H30F3N3O4.2C30H34N4O4.2C30H33N3O4.C29H29Cl2N3O4.C29H31ClN4O4.C29H30ClN3O4/c1-29(2,3)27-11-17(16-36-27)10-19(37)12-18-6-7-20(13-23(18)30(31,32)33)40-25-8-9-35-24-15-26(39-5)22(14-21(24)25)28(38)34-4;1-18-12-22(9-8-19(18)13-21(35)14-20-15-28(30(2,3)4)33-34(20)6)38-26-10-11-32-25-17-27(37-7)24(16-23(25)26)29(36)31-5;1-18-12-19(13-21(35)14-20-15-28(30(2,3)4)33-34(20)6)8-9-25(18)38-26-10-11-32-24-17-27(37-7)23(16-22(24)26)29(36)31-5;1-18-11-22(8-7-20(18)14-21(34)12-19-13-28(33-17-19)30(2,3)4)37-26-9-10-32-25-16-27(36-6)24(15-23(25)26)29(35)31-5;1-18-11-19(12-21(34)13-20-14-28(33-17-20)30(2,3)4)7-8-25(18)37-26-9-10-32-24-16-27(36-6)23(15-22(24)26)29(35)31-5;1-29(2,3)25-11-16(15-34-25)10-18(35)12-17-6-7-23(27(31)26(17)30)38-22-8-9-33-21-14-24(37-5)20(13-19(21)22)28(36)32-4;1-29(2,3)27-14-18(34(5)33-27)13-19(35)11-17-7-8-25(22(30)12-17)38-24-9-10-32-23-16-26(37-6)21(15-20(23)24)28(36)31-4;1-29(2,3)27-13-18(16-33-27)11-19(34)10-17-6-7-25(22(30)12-17)37-24-8-9-32-23-15-26(36-5)21(14-20(23)24)28(35)31-4/h6-9,11,13-15H,10,12,16H2,1-5H3,(H,34,38);2*8-12,15-17H,13-14H2,1-7H3,(H,31,36);7-11,13,15-16H,12,14,17H2,1-6H3,(H,31,35);7-11,14-16H,12-13,17H2,1-6H3,(H,31,35);6-9,11,13-14H,10,12,15H2,1-5H3,(H,32,36);7-10,12,14-16H,11,13H2,1-6H3,(H,31,36);6-9,12-15H,10-11,16H2,1-5H3,(H,31,35)
InChIKeyUBZCUQWPFSQDQM-UHFFFAOYSA-N
XLogP45.83
TPSA735.42 Ų
H-Bond Donors8
H-Bond Acceptors51
Rotatable Bonds64
Heavy Atoms303
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004191.60
LogP ≤ 545.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1051

Analyze 4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-(trifluoromethyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-(trifluoromethyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide?
The IUPAC name of 4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-(trifluoromethyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide (CID 161049784) is 4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-(trifluoromethyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide.
What is the SMILES notation for 4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-(trifluoromethyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide?
The canonical SMILES for 4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-(trifluoromethyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide is CNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(C(F)(F)F)c3)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(C)c3)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(Cl)c3Cl)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)cc3C)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)cc3Cl)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C)c(C)c3)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C)cc3C)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C)cc3Cl)ccnc2cc1OC.
What is the InChIKey of 4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-(trifluoromethyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide?
The InChIKey is UBZCUQWPFSQDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N3O4.2C30H34N4O4.2C30H33N3O4.C29H29Cl2N3O4.C29H31ClN4O4.C29H30ClN3O4/c1-29(2,3)27-11-17(16-36-27)10-19(37)12-18-6-7-20(13-23(18)30(31,32)33)40-25-8-9-35-24-15-26(39-5)22(14-21(24)25)28(38)34-4;1-18-12-22(9-8-19(18)13-21(35)14-20-15-28(30(2,3)4)33-34(20)6)38-26-10-11-32-25-17-27(37-7)24(16-23(25)26)29(36)31-5;1-18-12-19(13-21(35)14-20-15-28(30(2,3)4)33-34(20)6)8-9-25(18)38-26-10-11-32-24-17-27(37-7)23(16-22(24)26)29(36)31-5;1-18-11-22(8-7-20(18)14-21(34)12-19-13-28(33-17-19)30(2,3)4)37-26-9-10-32-25-16-27(36-6)24(15-23(25)26)29(35)31-5;1-18-11-19(12-21(34)13-20-14-28(33-17-20)30(2,3)4)7-8-25(18)37-26-9-10-32-24-16-27(36-6)23(15-22(24)26)29(35)31-5;1-29(2,3)25-11-16(15-34-25)10-18(35)12-17-6-7-23(27(31)26(17)30)38-22-8-9-33-21-14-24(37-5)20(13-19(21)22)28(36)32-4;1-29(2,3)27-14-18(34(5)33-27)13-19(35)11-17-7-8-25(22(30)12-17)38-24-9-10-32-23-16-26(37-6)21(15-20(23)24)28(36)31-4;1-29(2,3)27-13-18(16-33-27)11-19(34)10-17-6-7-25(22(30)12-17)37-24-8-9-32-23-15-26(36-5)21(14-20(23)24)28(35)31-4/h6-9,11,13-15H,10,12,16H2,1-5H3,(H,34,38);2*8-12,15-17H,13-14H2,1-7H3,(H,31,36);7-11,13,15-16H,12,14,17H2,1-6H3,(H,31,35);7-11,14-16H,12-13,17H2,1-6H3,(H,31,35);6-9,11,13-14H,10,12,15H2,1-5H3,(H,32,36);7-10,12,14-16H,11,13H2,1-6H3,(H,31,36);6-9,12-15H,10-11,16H2,1-5H3,(H,31,35).
What are the key properties of 4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-(trifluoromethyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide?
4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-(trifluoromethyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide has a molecular weight of 4191.60 g/mol, XLogP of 45.83, 64 rotatable bonds, 8 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-(trifluoromethyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide is sourced from PubChem (CID 161049784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).