7-[3-(4-acetylpiperazin-1-yl)propoxy]-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-hydroxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide;methane

C225H248Cl12N28O30 — CID 161418352

IUPAC7-[3-(4-acetylpiperazin-1-yl)propoxy]-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-hydroxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide;methane
SMILESC.CC(=O)N1CCN(CCCOc2cc3nccc(Oc4ccc(CC(=O)CC5=CC(C(C)(C)C)=NC5)c(Cl)c4)c3cc2C(N)=O)CC1.CC(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(O)c(C(N)=O)cc34)c(Cl)c2Cl)=C1.CC(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCN5CCCCC5)c(C(N)=O)cc34)c(Cl)c2Cl)=C1.CC(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCN5CCOCC5)c(C(N)=O)cc34)c(Cl)c2Cl)=C1.CN(C)CCOc1cc2nccc(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(Cl)c3Cl)c2cc1C(N)=O.CN1CCN(CCCOc2cc3nccc(Oc4ccc(CC(=O)CC5=CC(C(C)(C)C)=NC5)c(Cl)c4Cl)c3cc2C(N)=O)CC1.COc1cc2nccc(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)cc3Cl)c2cc1C(N)=O
InChIInChI=1S/C36H42ClN5O5.C35H41Cl2N5O4.C34H38Cl2N4O4.C33H36Cl2N4O5.C31H34Cl2N4O4.C28H28ClN3O4.C27H25Cl2N3O4.CH4/c1-23(43)42-13-11-41(12-14-42)10-5-15-46-33-21-31-28(20-29(33)35(38)45)32(8-9-39-31)47-27-7-6-25(30(37)19-27)18-26(44)16-24-17-34(40-22-24)36(2,3)4;1-35(2,3)31-17-22(21-40-31)16-24(43)18-23-6-7-29(33(37)32(23)36)46-28-8-9-39-27-20-30(26(34(38)44)19-25(27)28)45-15-5-10-42-13-11-41(4)12-14-42;1-34(2,3)30-16-21(20-39-30)15-23(41)17-22-7-8-28(32(36)31(22)35)44-27-9-10-38-26-19-29(25(33(37)42)18-24(26)27)43-14-13-40-11-5-4-6-12-40;1-33(2,3)29-15-20(19-38-29)14-22(40)16-21-4-5-27(31(35)30(21)34)44-26-6-7-37-25-18-28(24(32(36)41)17-23(25)26)43-13-10-39-8-11-42-12-9-39;1-31(2,3)27-13-18(17-36-27)12-20(38)14-19-6-7-25(29(33)28(19)32)41-24-8-9-35-23-16-26(40-11-10-37(4)5)22(30(34)39)15-21(23)24;1-28(2,3)26-12-17(15-32-26)10-18(33)9-16-5-6-24(21(29)11-16)36-23-7-8-31-22-14-25(35-4)20(27(30)34)13-19(22)23;1-27(2,3)23-9-14(13-32-23)8-16(33)10-15-4-5-22(25(29)24(15)28)36-21-6-7-31-19-12-20(34)18(26(30)35)11-17(19)21;/h6-9,17,19-21H,5,10-16,18,22H2,1-4H3,(H2,38,45);6-9,17,19-20H,5,10-16,18,21H2,1-4H3,(H2,38,44);7-10,16,18-19H,4-6,11-15,17,20H2,1-3H3,(H2,37,42);4-7,15,17-18H,8-14,16,19H2,1-3H3,(H2,36,41);6-9,13,15-16H,10-12,14,17H2,1-5H3,(H2,34,39);5-8,11-14H,9-10,15H2,1-4H3,(H2,30,34);4-7,9,11-12,34H,8,10,13H2,1-3H3,(H2,30,35);1H4
InChIKeyVWJXTZHQUQSVMM-UHFFFAOYSA-N
MW4250.06 g/mol
LogP44.04
Rot. Bonds72

About 7-[3-(4-acetylpiperazin-1-yl)propoxy]-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-hydroxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide;methane

7-[3-(4-acetylpiperazin-1-yl)propoxy]-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-hydroxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide;methane (PubChem CID 161418352) has the molecular formula C225H248Cl12N28O30 and a molecular weight of 4250.06 g/mol. Its IUPAC name is 7-[3-(4-acetylpiperazin-1-yl)propoxy]-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-hydroxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide;methane.

Molecular Properties

Compound Name7-[3-(4-acetylpiperazin-1-yl)propoxy]-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-hydroxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide;methane
PubChem CID161418352
Molecular FormulaC225H248Cl12N28O30
Molecular Weight4250.06 g/mol
Exact Mass4241.50
IUPAC Name7-[3-(4-acetylpiperazin-1-yl)propoxy]-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-hydroxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide;methane
SMILESC.CC(=O)N1CCN(CCCOc2cc3nccc(Oc4ccc(CC(=O)CC5=CC(C(C)(C)C)=NC5)c(Cl)c4)c3cc2C(N)=O)CC1.CC(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(O)c(C(N)=O)cc34)c(Cl)c2Cl)=C1.CC(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCN5CCCCC5)c(C(N)=O)cc34)c(Cl)c2Cl)=C1.CC(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCN5CCOCC5)c(C(N)=O)cc34)c(Cl)c2Cl)=C1.CN(C)CCOc1cc2nccc(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(Cl)c3Cl)c2cc1C(N)=O.CN1CCN(CCCOc2cc3nccc(Oc4ccc(CC(=O)CC5=CC(C(C)(C)C)=NC5)c(Cl)c4Cl)c3cc2C(N)=O)CC1.COc1cc2nccc(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)cc3Cl)c2cc1C(N)=O
InChIInChI=1S/C36H42ClN5O5.C35H41Cl2N5O4.C34H38Cl2N4O4.C33H36Cl2N4O5.C31H34Cl2N4O4.C28H28ClN3O4.C27H25Cl2N3O4.CH4/c1-23(43)42-13-11-41(12-14-42)10-5-15-46-33-21-31-28(20-29(33)35(38)45)32(8-9-39-31)47-27-7-6-25(30(37)19-27)18-26(44)16-24-17-34(40-22-24)36(2,3)4;1-35(2,3)31-17-22(21-40-31)16-24(43)18-23-6-7-29(33(37)32(23)36)46-28-8-9-39-27-20-30(26(34(38)44)19-25(27)28)45-15-5-10-42-13-11-41(4)12-14-42;1-34(2,3)30-16-21(20-39-30)15-23(41)17-22-7-8-28(32(36)31(22)35)44-27-9-10-38-26-19-29(25(33(37)42)18-24(26)27)43-14-13-40-11-5-4-6-12-40;1-33(2,3)29-15-20(19-38-29)14-22(40)16-21-4-5-27(31(35)30(21)34)44-26-6-7-37-25-18-28(24(32(36)41)17-23(25)26)43-13-10-39-8-11-42-12-9-39;1-31(2,3)27-13-18(17-36-27)12-20(38)14-19-6-7-25(29(33)28(19)32)41-24-8-9-35-23-16-26(40-11-10-37(4)5)22(30(34)39)15-21(23)24;1-28(2,3)26-12-17(15-32-26)10-18(33)9-16-5-6-24(21(29)11-16)36-23-7-8-31-22-14-25(35-4)20(27(30)34)13-19(22)23;1-27(2,3)23-9-14(13-32-23)8-16(33)10-15-4-5-22(25(29)24(15)28)36-21-6-7-31-19-12-20(34)18(26(30)35)11-17(19)21;/h6-9,17,19-21H,5,10-16,18,22H2,1-4H3,(H2,38,45);6-9,17,19-20H,5,10-16,18,21H2,1-4H3,(H2,38,44);7-10,16,18-19H,4-6,11-15,17,20H2,1-3H3,(H2,37,42);4-7,15,17-18H,8-14,16,19H2,1-3H3,(H2,36,41);6-9,13,15-16H,10-12,14,17H2,1-5H3,(H2,34,39);5-8,11-14H,9-10,15H2,1-4H3,(H2,30,34);4-7,9,11-12,34H,8,10,13H2,1-3H3,(H2,30,35);1H4
InChIKeyVWJXTZHQUQSVMM-UHFFFAOYSA-N
XLogP44.04
TPSA787.07 Ų
H-Bond Donors8
H-Bond Acceptors50
Rotatable Bonds72
Heavy Atoms295
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004250.06
LogP ≤ 544.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1050

Analyze 7-[3-(4-acetylpiperazin-1-yl)propoxy]-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-hydroxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-hydroxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-phenylmethoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde
CID 157371862
4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-2-chloro-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-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-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 158002189
4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-2-chloro-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-methylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[2-oxo-3-(5-propan-2-yl-2H-pyrrol-3-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 160780959
CID 161049784
CID 161049784
4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide
CID 147857720
dipotassium;7-(3-bromopropoxy)-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]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-[3-chloro-4-[3-[5-(2-methylpropan-2-yl)-2H-pyrrol-3-yl]-2-oxopropyl]phenoxy]-7-hydroxyquinoline-6-carboxamide;1,3-dibromopropane;1-(2-methoxyethyl)piperazine;diiodide
CID 157192974
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
CID 157192977
CID 157569476
CID 157569476
sodium;4-amino-3-chlorophenol;4-(4-amino-3-chlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;5-tert-butyl-2H-pyrrol-3-amine;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;4-chloro-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;methyl 4-chloro-7-(2-methoxyethoxy)quinoline-6-carboxylate;oxolane;phenyl carbonochloridate;phenyl 2-[2-chloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]acetate;hydroxide;hydrochloride
CID 157629614
4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline-6-carboxamide
CID 157668411
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-[2,3-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide
CID 157896090

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-acetylpiperazin-1-yl)propoxy]-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-hydroxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide;methane?
The IUPAC name of 7-[3-(4-acetylpiperazin-1-yl)propoxy]-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-hydroxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide;methane (CID 161418352) is 7-[3-(4-acetylpiperazin-1-yl)propoxy]-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-hydroxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide;methane.
What is the SMILES notation for 7-[3-(4-acetylpiperazin-1-yl)propoxy]-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-hydroxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide;methane?
The canonical SMILES for 7-[3-(4-acetylpiperazin-1-yl)propoxy]-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-hydroxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide;methane is C.CC(=O)N1CCN(CCCOc2cc3nccc(Oc4ccc(CC(=O)CC5=CC(C(C)(C)C)=NC5)c(Cl)c4)c3cc2C(N)=O)CC1.CC(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(O)c(C(N)=O)cc34)c(Cl)c2Cl)=C1.CC(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCN5CCCCC5)c(C(N)=O)cc34)c(Cl)c2Cl)=C1.CC(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCN5CCOCC5)c(C(N)=O)cc34)c(Cl)c2Cl)=C1.CN(C)CCOc1cc2nccc(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(Cl)c3Cl)c2cc1C(N)=O.CN1CCN(CCCOc2cc3nccc(Oc4ccc(CC(=O)CC5=CC(C(C)(C)C)=NC5)c(Cl)c4Cl)c3cc2C(N)=O)CC1.COc1cc2nccc(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)cc3Cl)c2cc1C(N)=O.
What is the InChIKey of 7-[3-(4-acetylpiperazin-1-yl)propoxy]-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-hydroxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide;methane?
The InChIKey is VWJXTZHQUQSVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42ClN5O5.C35H41Cl2N5O4.C34H38Cl2N4O4.C33H36Cl2N4O5.C31H34Cl2N4O4.C28H28ClN3O4.C27H25Cl2N3O4.CH4/c1-23(43)42-13-11-41(12-14-42)10-5-15-46-33-21-31-28(20-29(33)35(38)45)32(8-9-39-31)47-27-7-6-25(30(37)19-27)18-26(44)16-24-17-34(40-22-24)36(2,3)4;1-35(2,3)31-17-22(21-40-31)16-24(43)18-23-6-7-29(33(37)32(23)36)46-28-8-9-39-27-20-30(26(34(38)44)19-25(27)28)45-15-5-10-42-13-11-41(4)12-14-42;1-34(2,3)30-16-21(20-39-30)15-23(41)17-22-7-8-28(32(36)31(22)35)44-27-9-10-38-26-19-29(25(33(37)42)18-24(26)27)43-14-13-40-11-5-4-6-12-40;1-33(2,3)29-15-20(19-38-29)14-22(40)16-21-4-5-27(31(35)30(21)34)44-26-6-7-37-25-18-28(24(32(36)41)17-23(25)26)43-13-10-39-8-11-42-12-9-39;1-31(2,3)27-13-18(17-36-27)12-20(38)14-19-6-7-25(29(33)28(19)32)41-24-8-9-35-23-16-26(40-11-10-37(4)5)22(30(34)39)15-21(23)24;1-28(2,3)26-12-17(15-32-26)10-18(33)9-16-5-6-24(21(29)11-16)36-23-7-8-31-22-14-25(35-4)20(27(30)34)13-19(22)23;1-27(2,3)23-9-14(13-32-23)8-16(33)10-15-4-5-22(25(29)24(15)28)36-21-6-7-31-19-12-20(34)18(26(30)35)11-17(19)21;/h6-9,17,19-21H,5,10-16,18,22H2,1-4H3,(H2,38,45);6-9,17,19-20H,5,10-16,18,21H2,1-4H3,(H2,38,44);7-10,16,18-19H,4-6,11-15,17,20H2,1-3H3,(H2,37,42);4-7,15,17-18H,8-14,16,19H2,1-3H3,(H2,36,41);6-9,13,15-16H,10-12,14,17H2,1-5H3,(H2,34,39);5-8,11-14H,9-10,15H2,1-4H3,(H2,30,34);4-7,9,11-12,34H,8,10,13H2,1-3H3,(H2,30,35);1H4.
What are the key properties of 7-[3-(4-acetylpiperazin-1-yl)propoxy]-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-hydroxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide;methane?
7-[3-(4-acetylpiperazin-1-yl)propoxy]-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-hydroxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide;methane has a molecular weight of 4250.06 g/mol, XLogP of 44.04, 72 rotatable bonds, 8 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-acetylpiperazin-1-yl)propoxy]-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-hydroxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide;methane is sourced from PubChem (CID 161418352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).