4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-ethylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-[5-tert-butyl-2-(2-morpholin-4-ylethyl)-1,2-oxazol-2-ium-3-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propanoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-prop-2-enoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide

C240H254Cl8N31O36+ — CID 158406368

IUPAC4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-ethylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-[5-tert-butyl-2-(2-morpholin-4-ylethyl)-1,2-oxazol-2-ium-3-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propanoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-prop-2-enoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
SMILESC=CC(=O)n1nc(C(C)(C)C)cc1CC(=O)Cc1ccc(Oc2ccnc3cc(OC)c(C(N)=O)cc23)cc1Cl.CCC(=O)n1nc(C(C)(C)C)cc1CC(=O)Cc1ccc(Oc2ccnc3cc(OC)c(C(N)=O)cc23)cc1Cl.CCCn1nc(C(C)(C)C)cc1CC(=O)Cc1ccc(Oc2ccnc3cc(OC)c(C(N)=O)cc23)cc1Cl.CCn1nc(C(C)(C)C)cc1CC(=O)Cc1ccc(Oc2ccnc3cc(OC)c(C(N)=O)cc23)cc1Cl.COc1cc2nccc(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(Cl)c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C)c(Cl)c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C4CCCC4)c(Cl)c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)o[n+]4CCN4CCOCC4)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C33H37ClN4O6.C32H35ClN4O4.C30H31ClN4O5.C30H29ClN4O5.C30H33ClN4O4.C29H31ClN4O4.C28H29ClN4O4.C28H28ClN3O4/c1-33(2,3)31-17-22(38(44-31)10-9-37-11-13-42-14-12-37)16-23(39)15-21-5-6-24(18-27(21)34)43-29-7-8-36-28-20-30(41-4)26(32(35)40)19-25(28)29;1-32(2,3)30-15-21(37(36-30)20-7-5-6-8-20)14-22(38)13-19-9-10-23(16-26(19)33)41-28-11-12-35-27-18-29(40-4)25(31(34)39)17-24(27)28;2*1-6-28(37)35-18(13-27(34-35)30(2,3)4)12-19(36)11-17-7-8-20(14-23(17)31)40-25-9-10-33-24-16-26(39-5)22(29(32)38)15-21(24)25;1-6-11-35-19(14-28(34-35)30(2,3)4)13-20(36)12-18-7-8-21(15-24(18)31)39-26-9-10-33-25-17-27(38-5)23(29(32)37)16-22(25)26;1-6-34-18(13-27(33-34)29(2,3)4)12-19(35)11-17-7-8-20(14-23(17)30)38-25-9-10-32-24-16-26(37-5)22(28(31)36)15-21(24)25;1-28(2,3)26-12-17(33(4)32-26)11-18(34)10-16-6-7-19(13-22(16)29)37-24-8-9-31-23-15-25(36-5)21(27(30)35)14-20(23)24;1-28(2,3)26-10-16(15-32-26)9-18(33)11-17-5-6-19(12-22(17)29)36-24-7-8-31-23-14-25(35-4)21(27(30)34)13-20(23)24/h5-8,17-20H,9-16H2,1-4H3,(H-,35,40);9-12,15-18,20H,5-8,13-14H2,1-4H3,(H2,34,39);7-10,13-16H,6,11-12H2,1-5H3,(H2,32,38);6-10,13-16H,1,11-12H2,2-5H3,(H2,32,38);7-10,14-17H,6,11-13H2,1-5H3,(H2,32,37);7-10,13-16H,6,11-12H2,1-5H3,(H2,31,36);6-9,12-15H,10-11H2,1-5H3,(H2,30,35);5-8,10,12-14H,9,11,15H2,1-4H3,(H2,30,34)/p+1
InChIKeyOWCPQOYZZLUZHU-UHFFFAOYSA-O
MW4432.48 g/mol
LogP45.15
Rot. Bonds73

About 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-ethylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-[5-tert-butyl-2-(2-morpholin-4-ylethyl)-1,2-oxazol-2-ium-3-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propanoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-prop-2-enoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide

4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-ethylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-[5-tert-butyl-2-(2-morpholin-4-ylethyl)-1,2-oxazol-2-ium-3-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propanoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-prop-2-enoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide (PubChem CID 158406368) has the molecular formula C240H254Cl8N31O36+ and a molecular weight of 4432.48 g/mol. Its IUPAC name is 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-ethylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-[5-tert-butyl-2-(2-morpholin-4-ylethyl)-1,2-oxazol-2-ium-3-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propanoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-prop-2-enoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-ethylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-[5-tert-butyl-2-(2-morpholin-4-ylethyl)-1,2-oxazol-2-ium-3-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propanoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-prop-2-enoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
PubChem CID158406368
Molecular FormulaC240H254Cl8N31O36+
Molecular Weight4432.48 g/mol
Exact Mass4425.65
IUPAC Name4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-ethylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-[5-tert-butyl-2-(2-morpholin-4-ylethyl)-1,2-oxazol-2-ium-3-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propanoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-prop-2-enoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
SMILESC=CC(=O)n1nc(C(C)(C)C)cc1CC(=O)Cc1ccc(Oc2ccnc3cc(OC)c(C(N)=O)cc23)cc1Cl.CCC(=O)n1nc(C(C)(C)C)cc1CC(=O)Cc1ccc(Oc2ccnc3cc(OC)c(C(N)=O)cc23)cc1Cl.CCCn1nc(C(C)(C)C)cc1CC(=O)Cc1ccc(Oc2ccnc3cc(OC)c(C(N)=O)cc23)cc1Cl.CCn1nc(C(C)(C)C)cc1CC(=O)Cc1ccc(Oc2ccnc3cc(OC)c(C(N)=O)cc23)cc1Cl.COc1cc2nccc(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(Cl)c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C)c(Cl)c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C4CCCC4)c(Cl)c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)o[n+]4CCN4CCOCC4)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C33H37ClN4O6.C32H35ClN4O4.C30H31ClN4O5.C30H29ClN4O5.C30H33ClN4O4.C29H31ClN4O4.C28H29ClN4O4.C28H28ClN3O4/c1-33(2,3)31-17-22(38(44-31)10-9-37-11-13-42-14-12-37)16-23(39)15-21-5-6-24(18-27(21)34)43-29-7-8-36-28-20-30(41-4)26(32(35)40)19-25(28)29;1-32(2,3)30-15-21(37(36-30)20-7-5-6-8-20)14-22(38)13-19-9-10-23(16-26(19)33)41-28-11-12-35-27-18-29(40-4)25(31(34)39)17-24(27)28;2*1-6-28(37)35-18(13-27(34-35)30(2,3)4)12-19(36)11-17-7-8-20(14-23(17)31)40-25-9-10-33-24-16-26(39-5)22(29(32)38)15-21(24)25;1-6-11-35-19(14-28(34-35)30(2,3)4)13-20(36)12-18-7-8-21(15-24(18)31)39-26-9-10-33-25-17-27(38-5)23(29(32)37)16-22(25)26;1-6-34-18(13-27(33-34)29(2,3)4)12-19(35)11-17-7-8-20(14-23(17)30)38-25-9-10-32-24-16-26(37-5)22(28(31)36)15-21(24)25;1-28(2,3)26-12-17(33(4)32-26)11-18(34)10-16-6-7-19(13-22(16)29)37-24-8-9-31-23-15-25(36-5)21(27(30)35)14-20(23)24;1-28(2,3)26-10-16(15-32-26)9-18(33)11-17-5-6-19(12-22(17)29)36-24-7-8-31-23-14-25(35-4)21(27(30)34)13-20(23)24/h5-8,17-20H,9-16H2,1-4H3,(H-,35,40);9-12,15-18,20H,5-8,13-14H2,1-4H3,(H2,34,39);7-10,13-16H,6,11-12H2,1-5H3,(H2,32,38);6-10,13-16H,1,11-12H2,2-5H3,(H2,32,38);7-10,14-17H,6,11-13H2,1-5H3,(H2,32,37);7-10,13-16H,6,11-12H2,1-5H3,(H2,31,36);6-9,12-15H,10-11H2,1-5H3,(H2,30,35);5-8,10,12-14H,9,11,15H2,1-4H3,(H2,30,34)/p+1
InChIKeyOWCPQOYZZLUZHU-UHFFFAOYSA-O
XLogP45.15
TPSA914.99 Ų
H-Bond Donors8
H-Bond Acceptors58
Rotatable Bonds73
Heavy Atoms315
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004432.48
LogP ≤ 545.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1058

Analyze 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-ethylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-[5-tert-butyl-2-(2-morpholin-4-ylethyl)-1,2-oxazol-2-ium-3-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propanoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-prop-2-enoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide with MolForge

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Related Compounds

4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chloro-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-chloro-4-(8-fluoroquinolin-4-yl)oxyphenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-chloro-4-[2-(trifluoromethyl)quinolin-4-yl]oxyphenyl]propan-2-one;1-(5-tert-butyl-2H-pyrrol-3-yl)-3-[2-chloro-4-[8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]propan-2-one;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chloro-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[[5-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-pyridinyl]oxy]-7-methoxyquinoline-6-carboxamide
CID 161047628
4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chloro-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-chloro-4-(8-fluoroquinolin-4-yl)oxyphenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-chloro-4-[2-(trifluoromethyl)quinolin-4-yl]oxyphenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-chloro-4-[8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]propan-2-one;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chloro-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[[5-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-pyridinyl]oxy]-7-methoxyquinoline-6-carboxamide
CID 161264336
4-[4-[3-(3-Tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide
CID 153293906
4-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]-methylamino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)-methylamino]-2-oxoethyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N,N-dimethylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1,2-oxazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1,2-oxazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-(4-methylpiperazin-1-yl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 157343747
CID 157569476
CID 157569476
4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(1,1,2,2,3,3-hexadeuterio-3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[1,1,2,2,3,3-hexadeuterio-3-[4-(trideuteriomethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(1,1,2,2,3,3-hexadeuterio-3-morpholin-4-ylpropoxy)quinoline-6-carboxamide
CID 157774371
4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-ethylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-methoxyethoxy)quinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-methoxyethoxy)quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-propan-2-yloxyquinoline-6-carboxamide;4-[3-chloro-4-[3-(5-cyclopropyl-2H-pyrrol-3-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 158279843
4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide
CID 159024654
4-[4-[3-(3-Tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide
CID 159195529
CID 159476392
CID 159476392
4-[4-[3-[3-Tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 159792108
tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[3-[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]-2-oxopropyl]pyrrolidine-1-carboxylate;4-[3-chloro-4-[2-oxo-3-(1-propanoylpyrrolidin-3-yl)propyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[3-chloro-4-(2-oxo-3-pyrrolidin-3-ylpropyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;methane;oxolane;phenyl 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]acetate
CID 159914190

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-ethylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-[5-tert-butyl-2-(2-morpholin-4-ylethyl)-1,2-oxazol-2-ium-3-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propanoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-prop-2-enoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-ethylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-[5-tert-butyl-2-(2-morpholin-4-ylethyl)-1,2-oxazol-2-ium-3-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propanoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-prop-2-enoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide (CID 158406368) is 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-ethylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-[5-tert-butyl-2-(2-morpholin-4-ylethyl)-1,2-oxazol-2-ium-3-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propanoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-prop-2-enoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-ethylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-[5-tert-butyl-2-(2-morpholin-4-ylethyl)-1,2-oxazol-2-ium-3-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propanoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-prop-2-enoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-ethylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-[5-tert-butyl-2-(2-morpholin-4-ylethyl)-1,2-oxazol-2-ium-3-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propanoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-prop-2-enoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide is C=CC(=O)n1nc(C(C)(C)C)cc1CC(=O)Cc1ccc(Oc2ccnc3cc(OC)c(C(N)=O)cc23)cc1Cl.CCC(=O)n1nc(C(C)(C)C)cc1CC(=O)Cc1ccc(Oc2ccnc3cc(OC)c(C(N)=O)cc23)cc1Cl.CCCn1nc(C(C)(C)C)cc1CC(=O)Cc1ccc(Oc2ccnc3cc(OC)c(C(N)=O)cc23)cc1Cl.CCn1nc(C(C)(C)C)cc1CC(=O)Cc1ccc(Oc2ccnc3cc(OC)c(C(N)=O)cc23)cc1Cl.COc1cc2nccc(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(Cl)c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C)c(Cl)c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C4CCCC4)c(Cl)c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)o[n+]4CCN4CCOCC4)c(Cl)c3)c2cc1C(N)=O.
What is the InChIKey of 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-ethylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-[5-tert-butyl-2-(2-morpholin-4-ylethyl)-1,2-oxazol-2-ium-3-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propanoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-prop-2-enoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide?
The InChIKey is OWCPQOYZZLUZHU-UHFFFAOYSA-O. The full InChI is InChI=1S/C33H37ClN4O6.C32H35ClN4O4.C30H31ClN4O5.C30H29ClN4O5.C30H33ClN4O4.C29H31ClN4O4.C28H29ClN4O4.C28H28ClN3O4/c1-33(2,3)31-17-22(38(44-31)10-9-37-11-13-42-14-12-37)16-23(39)15-21-5-6-24(18-27(21)34)43-29-7-8-36-28-20-30(41-4)26(32(35)40)19-25(28)29;1-32(2,3)30-15-21(37(36-30)20-7-5-6-8-20)14-22(38)13-19-9-10-23(16-26(19)33)41-28-11-12-35-27-18-29(40-4)25(31(34)39)17-24(27)28;2*1-6-28(37)35-18(13-27(34-35)30(2,3)4)12-19(36)11-17-7-8-20(14-23(17)31)40-25-9-10-33-24-16-26(39-5)22(29(32)38)15-21(24)25;1-6-11-35-19(14-28(34-35)30(2,3)4)13-20(36)12-18-7-8-21(15-24(18)31)39-26-9-10-33-25-17-27(38-5)23(29(32)37)16-22(25)26;1-6-34-18(13-27(33-34)29(2,3)4)12-19(35)11-17-7-8-20(14-23(17)30)38-25-9-10-32-24-16-26(37-5)22(28(31)36)15-21(24)25;1-28(2,3)26-12-17(33(4)32-26)11-18(34)10-16-6-7-19(13-22(16)29)37-24-8-9-31-23-15-25(36-5)21(27(30)35)14-20(23)24;1-28(2,3)26-10-16(15-32-26)9-18(33)11-17-5-6-19(12-22(17)29)36-24-7-8-31-23-14-25(35-4)21(27(30)34)13-20(23)24/h5-8,17-20H,9-16H2,1-4H3,(H-,35,40);9-12,15-18,20H,5-8,13-14H2,1-4H3,(H2,34,39);7-10,13-16H,6,11-12H2,1-5H3,(H2,32,38);6-10,13-16H,1,11-12H2,2-5H3,(H2,32,38);7-10,14-17H,6,11-13H2,1-5H3,(H2,32,37);7-10,13-16H,6,11-12H2,1-5H3,(H2,31,36);6-9,12-15H,10-11H2,1-5H3,(H2,30,35);5-8,10,12-14H,9,11,15H2,1-4H3,(H2,30,34)/p+1.
What are the key properties of 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-ethylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-[5-tert-butyl-2-(2-morpholin-4-ylethyl)-1,2-oxazol-2-ium-3-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propanoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-prop-2-enoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide?
4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-ethylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-[5-tert-butyl-2-(2-morpholin-4-ylethyl)-1,2-oxazol-2-ium-3-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propanoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-prop-2-enoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide has a molecular weight of 4432.48 g/mol, XLogP of 45.15, 73 rotatable bonds, 8 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-ethylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-[5-tert-butyl-2-(2-morpholin-4-ylethyl)-1,2-oxazol-2-ium-3-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propanoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-prop-2-enoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-propylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 158406368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).