4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide

C279H331Cl5F2N36O41 — CID 161273362

IUPAC4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide
SMILESCC(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c(C(N)=O)cc34)cc2Cl)=C1.CC(C)(C)c1cc(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c(C(N)=O)cc34)cc2Cl)n(C2CCCC2)n1.CN1CCN(CCCOc2cc3nccc(Oc4ccc(CC(=O)Cc5cc(C(C)(C)C)nn5C5CCCC5)c(Cl)c4)c3cc2C(N)=O)CC1.COCCOc1cc2nccc(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(C)c3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C)cc3Cl)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C4CC4)cc3F)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4CCN4CCOCC4)cc3Cl)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4CCN4CCOCC4)cc3F)c2cc1NC(C)=O
InChIInChI=1S/C39H49ClN6O4.C38H46ClN5O5.C36H44ClN5O6.C36H44FN5O6.C34H39ClN4O5.C33H37FN4O5.C32H37N3O5.C31H35ClN4O5/c1-39(2,3)37-22-28(46(43-37)27-8-5-6-9-27)21-29(47)20-26-10-11-30(23-33(26)40)50-35-12-13-42-34-25-36(32(38(41)48)24-31(34)35)49-19-7-14-45-17-15-44(4)16-18-45;1-38(2,3)36-21-27(44(42-36)26-7-4-5-8-26)20-28(45)19-25-9-10-29(22-32(25)39)49-34-11-12-41-33-24-35(31(37(40)46)23-30(33)34)48-16-6-13-43-14-17-47-18-15-43;2*1-24(43)39-31-22-28-30(23-34(31)47-17-16-45-5)38-9-8-32(28)48-33-7-6-25(19-29(33)37)18-27(44)20-26-21-35(36(2,3)4)40-42(26)11-10-41-12-14-46-15-13-41;1-34(2,3)32-16-22(21-38-32)15-24(40)17-23-5-6-25(18-28(23)35)44-30-7-8-37-29-20-31(27(33(36)41)19-26(29)30)43-12-4-9-39-10-13-42-14-11-39;1-20(39)36-28-18-25-27(19-31(28)42-13-12-41-5)35-11-10-29(25)43-30-9-6-21(15-26(30)34)14-24(40)16-23-17-32(33(2,3)4)37-38(23)22-7-8-22;1-20-13-25(8-7-23(20)16-24(37)14-22-15-31(34-19-22)32(3,4)5)40-29-9-10-33-27-18-30(39-12-11-38-6)28(17-26(27)29)35-21(2)36;1-19(37)34-26-17-23-25(18-29(26)40-12-11-39-6)33-10-9-27(23)41-28-8-7-20(14-24(28)32)13-22(38)15-21-16-30(31(2,3)4)35-36(21)5/h10-13,22-25,27H,5-9,14-21H2,1-4H3,(H2,41,48);9-12,21-24,26H,4-8,13-20H2,1-3H3,(H2,40,46);2*6-9,19,21-23H,10-18,20H2,1-5H3,(H,39,43);5-8,16,18-20H,4,9-15,17,21H2,1-3H3,(H2,36,41);6,9-11,15,17-19,22H,7-8,12-14,16H2,1-5H3,(H,36,39);7-10,13,15,17-18H,11-12,14,16,19H2,1-6H3,(H,35,36);7-10,14,16-18H,11-13,15H2,1-6H3,(H,34,37)
InChIKeyVECQFKFCUNVYGV-UHFFFAOYSA-N
MW5060.19 g/mol
LogP49.22
Rot. Bonds100

About 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide

4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide (PubChem CID 161273362) has the molecular formula C279H331Cl5F2N36O41 and a molecular weight of 5060.19 g/mol. Its IUPAC name is 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide.

Molecular Properties

Compound Name4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide
PubChem CID161273362
Molecular FormulaC279H331Cl5F2N36O41
Molecular Weight5060.19 g/mol
Exact Mass5054.33
IUPAC Name4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide
SMILESCC(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c(C(N)=O)cc34)cc2Cl)=C1.CC(C)(C)c1cc(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c(C(N)=O)cc34)cc2Cl)n(C2CCCC2)n1.CN1CCN(CCCOc2cc3nccc(Oc4ccc(CC(=O)Cc5cc(C(C)(C)C)nn5C5CCCC5)c(Cl)c4)c3cc2C(N)=O)CC1.COCCOc1cc2nccc(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(C)c3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C)cc3Cl)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C4CC4)cc3F)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4CCN4CCOCC4)cc3Cl)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4CCN4CCOCC4)cc3F)c2cc1NC(C)=O
InChIInChI=1S/C39H49ClN6O4.C38H46ClN5O5.C36H44ClN5O6.C36H44FN5O6.C34H39ClN4O5.C33H37FN4O5.C32H37N3O5.C31H35ClN4O5/c1-39(2,3)37-22-28(46(43-37)27-8-5-6-9-27)21-29(47)20-26-10-11-30(23-33(26)40)50-35-12-13-42-34-25-36(32(38(41)48)24-31(34)35)49-19-7-14-45-17-15-44(4)16-18-45;1-38(2,3)36-21-27(44(42-36)26-7-4-5-8-26)20-28(45)19-25-9-10-29(22-32(25)39)49-34-11-12-41-33-24-35(31(37(40)46)23-30(33)34)48-16-6-13-43-14-17-47-18-15-43;2*1-24(43)39-31-22-28-30(23-34(31)47-17-16-45-5)38-9-8-32(28)48-33-7-6-25(19-29(33)37)18-27(44)20-26-21-35(36(2,3)4)40-42(26)11-10-41-12-14-46-15-13-41;1-34(2,3)32-16-22(21-38-32)15-24(40)17-23-5-6-25(18-28(23)35)44-30-7-8-37-29-20-31(27(33(36)41)19-26(29)30)43-12-4-9-39-10-13-42-14-11-39;1-20(39)36-28-18-25-27(19-31(28)42-13-12-41-5)35-11-10-29(25)43-30-9-6-21(15-26(30)34)14-24(40)16-23-17-32(33(2,3)4)37-38(23)22-7-8-22;1-20-13-25(8-7-23(20)16-24(37)14-22-15-31(34-19-22)32(3,4)5)40-29-9-10-33-27-18-30(39-12-11-38-6)28(17-26(27)29)35-21(2)36;1-19(37)34-26-17-23-25(18-29(26)40-12-11-39-6)33-10-9-27(23)41-28-8-7-20(14-24(28)32)13-22(38)15-21-16-30(31(2,3)4)35-36(21)5/h10-13,22-25,27H,5-9,14-21H2,1-4H3,(H2,41,48);9-12,21-24,26H,4-8,13-20H2,1-3H3,(H2,40,46);2*6-9,19,21-23H,10-18,20H2,1-5H3,(H,39,43);5-8,16,18-20H,4,9-15,17,21H2,1-3H3,(H2,36,41);6,9-11,15,17-19,22H,7-8,12-14,16H2,1-5H3,(H,36,39);7-10,13,15,17-18H,11-12,14,16,19H2,1-6H3,(H,35,36);7-10,14,16-18H,11-13,15H2,1-6H3,(H,34,37)
InChIKeyVECQFKFCUNVYGV-UHFFFAOYSA-N
XLogP49.22
TPSA896.28 Ų
H-Bond Donors8
H-Bond Acceptors69
Rotatable Bonds100
Heavy Atoms363
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005060.19
LogP ≤ 549.22
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1069

Analyze 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide?
The IUPAC name of 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide (CID 161273362) is 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide.
What is the SMILES notation for 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide?
The canonical SMILES for 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide is CC(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c(C(N)=O)cc34)cc2Cl)=C1.CC(C)(C)c1cc(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c(C(N)=O)cc34)cc2Cl)n(C2CCCC2)n1.CN1CCN(CCCOc2cc3nccc(Oc4ccc(CC(=O)Cc5cc(C(C)(C)C)nn5C5CCCC5)c(Cl)c4)c3cc2C(N)=O)CC1.COCCOc1cc2nccc(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(C)c3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C)cc3Cl)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C4CC4)cc3F)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4CCN4CCOCC4)cc3Cl)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4CCN4CCOCC4)cc3F)c2cc1NC(C)=O.
What is the InChIKey of 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide?
The InChIKey is VECQFKFCUNVYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H49ClN6O4.C38H46ClN5O5.C36H44ClN5O6.C36H44FN5O6.C34H39ClN4O5.C33H37FN4O5.C32H37N3O5.C31H35ClN4O5/c1-39(2,3)37-22-28(46(43-37)27-8-5-6-9-27)21-29(47)20-26-10-11-30(23-33(26)40)50-35-12-13-42-34-25-36(32(38(41)48)24-31(34)35)49-19-7-14-45-17-15-44(4)16-18-45;1-38(2,3)36-21-27(44(42-36)26-7-4-5-8-26)20-28(45)19-25-9-10-29(22-32(25)39)49-34-11-12-41-33-24-35(31(37(40)46)23-30(33)34)48-16-6-13-43-14-17-47-18-15-43;2*1-24(43)39-31-22-28-30(23-34(31)47-17-16-45-5)38-9-8-32(28)48-33-7-6-25(19-29(33)37)18-27(44)20-26-21-35(36(2,3)4)40-42(26)11-10-41-12-14-46-15-13-41;1-34(2,3)32-16-22(21-38-32)15-24(40)17-23-5-6-25(18-28(23)35)44-30-7-8-37-29-20-31(27(33(36)41)19-26(29)30)43-12-4-9-39-10-13-42-14-11-39;1-20(39)36-28-18-25-27(19-31(28)42-13-12-41-5)35-11-10-29(25)43-30-9-6-21(15-26(30)34)14-24(40)16-23-17-32(33(2,3)4)37-38(23)22-7-8-22;1-20-13-25(8-7-23(20)16-24(37)14-22-15-31(34-19-22)32(3,4)5)40-29-9-10-33-27-18-30(39-12-11-38-6)28(17-26(27)29)35-21(2)36;1-19(37)34-26-17-23-25(18-29(26)40-12-11-39-6)33-10-9-27(23)41-28-8-7-20(14-24(28)32)13-22(38)15-21-16-30(31(2,3)4)35-36(21)5/h10-13,22-25,27H,5-9,14-21H2,1-4H3,(H2,41,48);9-12,21-24,26H,4-8,13-20H2,1-3H3,(H2,40,46);2*6-9,19,21-23H,10-18,20H2,1-5H3,(H,39,43);5-8,16,18-20H,4,9-15,17,21H2,1-3H3,(H2,36,41);6,9-11,15,17-19,22H,7-8,12-14,16H2,1-5H3,(H,36,39);7-10,13,15,17-18H,11-12,14,16,19H2,1-6H3,(H,35,36);7-10,14,16-18H,11-13,15H2,1-6H3,(H,34,37).
What are the key properties of 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide?
4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide has a molecular weight of 5060.19 g/mol, XLogP of 49.22, 100 rotatable bonds, 8 hydrogen bond donors, and 69 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-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-chlorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-2-fluorophenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide is sourced from PubChem (CID 161273362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).