N-[4-[4-[3-(3-tert-butyl-1-cyclohexylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(1-methylpiperidin-4-yl)pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-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]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide

C273H330ClN35O42 — CID 159476392

IUPACN-[4-[4-[3-(3-tert-butyl-1-cyclohexylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(1-methylpiperidin-4-yl)pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-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]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide
SMILESCOCCOc1cc2nccc(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)cc3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C)cc3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C4CC4)cc3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C4CCCCC4)cc3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C4CCN(C)CC4)cc3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4CCN(C)C)cc3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4CCN4CCOCC4)c(Cl)c3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4CCN4CCOCC4)cc3)c2cc1NC(C)=O
InChIInChI=1S/C36H44ClN5O6.C36H45N5O6.C36H45N5O5.C36H44N4O5.C34H43N5O5.C33H38N4O5.C31H36N4O5.C31H35N3O5/c1-24(43)39-32-22-29-31(23-34(32)47-17-16-45-5)38-9-8-33(29)48-28-7-6-25(30(37)21-28)18-27(44)19-26-20-35(36(2,3)4)40-42(26)11-10-41-12-14-46-15-13-41;1-25(42)38-32-23-30-31(24-34(32)46-19-18-44-5)37-11-10-33(30)47-29-8-6-26(7-9-29)20-28(43)21-27-22-35(36(2,3)4)39-41(27)13-12-40-14-16-45-17-15-40;1-24(42)38-32-22-30-31(23-34(32)45-18-17-44-6)37-14-11-33(30)46-29-9-7-25(8-10-29)19-28(43)20-27-21-35(36(2,3)4)39-41(27)26-12-15-40(5)16-13-26;1-24(41)38-32-22-30-31(23-34(32)44-18-17-43-5)37-16-15-33(30)45-29-13-11-25(12-14-29)19-28(42)20-27-21-35(36(2,3)4)39-40(27)26-9-7-6-8-10-26;1-23(40)36-30-21-28-29(22-32(30)43-17-16-42-7)35-13-12-31(28)44-27-10-8-24(9-11-27)18-26(41)19-25-20-33(34(2,3)4)37-39(25)15-14-38(5)6;1-21(38)35-29-19-27-28(20-31(29)41-15-14-40-5)34-13-12-30(27)42-26-10-6-22(7-11-26)16-25(39)17-24-18-32(33(2,3)4)36-37(24)23-8-9-23;1-20(36)33-27-18-25-26(19-29(27)39-14-13-38-6)32-12-11-28(25)40-24-9-7-21(8-10-24)15-23(37)16-22-17-30(31(2,3)4)34-35(22)5;1-20(35)34-27-17-25-26(18-29(27)38-13-12-37-5)32-11-10-28(25)39-24-8-6-21(7-9-24)14-23(36)15-22-16-30(33-19-22)31(2,3)4/h6-9,20-23H,10-19H2,1-5H3,(H,39,43);6-11,22-24H,12-21H2,1-5H3,(H,38,42);7-11,14,21-23,26H,12-13,15-20H2,1-6H3,(H,38,42);11-16,21-23,26H,6-10,17-20H2,1-5H3,(H,38,41);8-13,20-22H,14-19H2,1-7H3,(H,36,40);6-7,10-13,18-20,23H,8-9,14-17H2,1-5H3,(H,35,38);7-12,17-19H,13-16H2,1-6H3,(H,33,36);6-11,16-18H,12-15,19H2,1-5H3,(H,34,35)
InChIKeyLWKZRVZEFPCRRQ-UHFFFAOYSA-N
MW4809.30 g/mol
LogP47.48
Rot. Bonds100

About N-[4-[4-[3-(3-tert-butyl-1-cyclohexylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(1-methylpiperidin-4-yl)pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-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]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide

N-[4-[4-[3-(3-tert-butyl-1-cyclohexylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(1-methylpiperidin-4-yl)pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-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]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide (PubChem CID 159476392) has the molecular formula C273H330ClN35O42 and a molecular weight of 4809.30 g/mol. Its IUPAC name is N-[4-[4-[3-(3-tert-butyl-1-cyclohexylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(1-methylpiperidin-4-yl)pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-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]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[3-(3-tert-butyl-1-cyclohexylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(1-methylpiperidin-4-yl)pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-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]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide
PubChem CID159476392
Molecular FormulaC273H330ClN35O42
Molecular Weight4809.30 g/mol
Exact Mass4805.45
IUPAC NameN-[4-[4-[3-(3-tert-butyl-1-cyclohexylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(1-methylpiperidin-4-yl)pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-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]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide
SMILESCOCCOc1cc2nccc(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)cc3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C)cc3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C4CC4)cc3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C4CCCCC4)cc3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C4CCN(C)CC4)cc3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4CCN(C)C)cc3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4CCN4CCOCC4)c(Cl)c3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4CCN4CCOCC4)cc3)c2cc1NC(C)=O
InChIInChI=1S/C36H44ClN5O6.C36H45N5O6.C36H45N5O5.C36H44N4O5.C34H43N5O5.C33H38N4O5.C31H36N4O5.C31H35N3O5/c1-24(43)39-32-22-29-31(23-34(32)47-17-16-45-5)38-9-8-33(29)48-28-7-6-25(30(37)21-28)18-27(44)19-26-20-35(36(2,3)4)40-42(26)11-10-41-12-14-46-15-13-41;1-25(42)38-32-23-30-31(24-34(32)46-19-18-44-5)37-11-10-33(30)47-29-8-6-26(7-9-29)20-28(43)21-27-22-35(36(2,3)4)39-41(27)13-12-40-14-16-45-17-15-40;1-24(42)38-32-22-30-31(23-34(32)45-18-17-44-6)37-14-11-33(30)46-29-9-7-25(8-10-29)19-28(43)20-27-21-35(36(2,3)4)39-41(27)26-12-15-40(5)16-13-26;1-24(41)38-32-22-30-31(23-34(32)44-18-17-43-5)37-16-15-33(30)45-29-13-11-25(12-14-29)19-28(42)20-27-21-35(36(2,3)4)39-40(27)26-9-7-6-8-10-26;1-23(40)36-30-21-28-29(22-32(30)43-17-16-42-7)35-13-12-31(28)44-27-10-8-24(9-11-27)18-26(41)19-25-20-33(34(2,3)4)37-39(25)15-14-38(5)6;1-21(38)35-29-19-27-28(20-31(29)41-15-14-40-5)34-13-12-30(27)42-26-10-6-22(7-11-26)16-25(39)17-24-18-32(33(2,3)4)36-37(24)23-8-9-23;1-20(36)33-27-18-25-26(19-29(27)39-14-13-38-6)32-12-11-28(25)40-24-9-7-21(8-10-24)15-23(37)16-22-17-30(31(2,3)4)34-35(22)5;1-20(35)34-27-17-25-26(18-29(27)38-13-12-37-5)32-11-10-28(25)39-24-8-6-21(7-9-24)14-23(36)15-22-16-30(33-19-22)31(2,3)4/h6-9,20-23H,10-19H2,1-5H3,(H,39,43);6-11,22-24H,12-21H2,1-5H3,(H,38,42);7-11,14,21-23,26H,12-13,15-20H2,1-6H3,(H,38,42);11-16,21-23,26H,6-10,17-20H2,1-5H3,(H,38,41);8-13,20-22H,14-19H2,1-7H3,(H,36,40);6-7,10-13,18-20,23H,8-9,14-17H2,1-5H3,(H,35,38);7-12,17-19H,13-16H2,1-6H3,(H,33,36);6-11,16-18H,12-15,19H2,1-5H3,(H,34,35)
InChIKeyLWKZRVZEFPCRRQ-UHFFFAOYSA-N
XLogP47.48
TPSA862.52 Ų
H-Bond Donors8
H-Bond Acceptors69
Rotatable Bonds100
Heavy Atoms351
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004809.30
LogP ≤ 547.48
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1069

Analyze N-[4-[4-[3-(3-tert-butyl-1-cyclohexylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(1-methylpiperidin-4-yl)pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-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]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(3-tert-butyl-1-cyclohexylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(1-methylpiperidin-4-yl)pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-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]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide?
The IUPAC name of N-[4-[4-[3-(3-tert-butyl-1-cyclohexylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(1-methylpiperidin-4-yl)pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-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]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide (CID 159476392) is N-[4-[4-[3-(3-tert-butyl-1-cyclohexylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(1-methylpiperidin-4-yl)pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-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]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide.
What is the SMILES notation for N-[4-[4-[3-(3-tert-butyl-1-cyclohexylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(1-methylpiperidin-4-yl)pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-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]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide?
The canonical SMILES for N-[4-[4-[3-(3-tert-butyl-1-cyclohexylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(1-methylpiperidin-4-yl)pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-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]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide is COCCOc1cc2nccc(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)cc3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C)cc3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C4CC4)cc3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C4CCCCC4)cc3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C4CCN(C)CC4)cc3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4CCN(C)C)cc3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4CCN4CCOCC4)c(Cl)c3)c2cc1NC(C)=O.COCCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4CCN4CCOCC4)cc3)c2cc1NC(C)=O.
What is the InChIKey of N-[4-[4-[3-(3-tert-butyl-1-cyclohexylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(1-methylpiperidin-4-yl)pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-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]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide?
The InChIKey is LWKZRVZEFPCRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44ClN5O6.C36H45N5O6.C36H45N5O5.C36H44N4O5.C34H43N5O5.C33H38N4O5.C31H36N4O5.C31H35N3O5/c1-24(43)39-32-22-29-31(23-34(32)47-17-16-45-5)38-9-8-33(29)48-28-7-6-25(30(37)21-28)18-27(44)19-26-20-35(36(2,3)4)40-42(26)11-10-41-12-14-46-15-13-41;1-25(42)38-32-23-30-31(24-34(32)46-19-18-44-5)37-11-10-33(30)47-29-8-6-26(7-9-29)20-28(43)21-27-22-35(36(2,3)4)39-41(27)13-12-40-14-16-45-17-15-40;1-24(42)38-32-22-30-31(23-34(32)45-18-17-44-6)37-14-11-33(30)46-29-9-7-25(8-10-29)19-28(43)20-27-21-35(36(2,3)4)39-41(27)26-12-15-40(5)16-13-26;1-24(41)38-32-22-30-31(23-34(32)44-18-17-43-5)37-16-15-33(30)45-29-13-11-25(12-14-29)19-28(42)20-27-21-35(36(2,3)4)39-40(27)26-9-7-6-8-10-26;1-23(40)36-30-21-28-29(22-32(30)43-17-16-42-7)35-13-12-31(28)44-27-10-8-24(9-11-27)18-26(41)19-25-20-33(34(2,3)4)37-39(25)15-14-38(5)6;1-21(38)35-29-19-27-28(20-31(29)41-15-14-40-5)34-13-12-30(27)42-26-10-6-22(7-11-26)16-25(39)17-24-18-32(33(2,3)4)36-37(24)23-8-9-23;1-20(36)33-27-18-25-26(19-29(27)39-14-13-38-6)32-12-11-28(25)40-24-9-7-21(8-10-24)15-23(37)16-22-17-30(31(2,3)4)34-35(22)5;1-20(35)34-27-17-25-26(18-29(27)38-13-12-37-5)32-11-10-28(25)39-24-8-6-21(7-9-24)14-23(36)15-22-16-30(33-19-22)31(2,3)4/h6-9,20-23H,10-19H2,1-5H3,(H,39,43);6-11,22-24H,12-21H2,1-5H3,(H,38,42);7-11,14,21-23,26H,12-13,15-20H2,1-6H3,(H,38,42);11-16,21-23,26H,6-10,17-20H2,1-5H3,(H,38,41);8-13,20-22H,14-19H2,1-7H3,(H,36,40);6-7,10-13,18-20,23H,8-9,14-17H2,1-5H3,(H,35,38);7-12,17-19H,13-16H2,1-6H3,(H,33,36);6-11,16-18H,12-15,19H2,1-5H3,(H,34,35).
What are the key properties of N-[4-[4-[3-(3-tert-butyl-1-cyclohexylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(1-methylpiperidin-4-yl)pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-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]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide?
N-[4-[4-[3-(3-tert-butyl-1-cyclohexylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(1-methylpiperidin-4-yl)pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-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]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide has a molecular weight of 4809.30 g/mol, XLogP of 47.48, 100 rotatable bonds, 8 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(3-tert-butyl-1-cyclohexylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-cyclopropylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(1-methylpiperidin-4-yl)pyrazol-5-yl]-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-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]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]phenoxy]-7-(2-methoxyethoxy)quinolin-6-yl]acetamide is sourced from PubChem (CID 159476392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).