N-(2,4-dichloro-5-methylphenyl)-3,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-amine;3-methyl-5-(4-methylimidazol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(5-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide

C170H173Cl2F9N40O6 — CID 163650635

IUPACN-(2,4-dichloro-5-methylphenyl)-3,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-amine;3-methyl-5-(4-methylimidazol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(5-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc(-n2cnc(C)c2)c1.Cc1cc(Nc2c(C)cnc3cc(OCCCN4CCN(C)CC4)c(C)cc23)c(Cl)cc1Cl.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](C)C3)c(C(F)(F)F)c2)cc1Nc1ncc(-c2cncnc2)cn1.Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C29H29F3N8O.2C29H28F3N7O.C29H31N7O.C28H25N7O.C26H32Cl2N4O/c1-19-26(38-28-34-9-7-25(37-28)21-4-3-8-33-16-21)15-23(17-35-19)36-27(41)20-5-6-22(24(14-20)29(30,31)32)18-40-12-10-39(2)11-13-40;1-18-8-10-39(15-18)16-21-5-4-20(11-24(21)29(30,31)32)27(40)36-23-6-3-19(2)26(12-23)38-28-35-9-7-25(37-28)22-13-33-17-34-14-22;1-18-7-8-39(15-18)16-21-5-4-20(9-25(21)29(30,31)32)27(40)37-24-6-3-19(2)26(10-24)38-28-35-13-23(14-36-28)22-11-33-17-34-12-22;1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-18-11-22(13-24(12-18)35-16-20(3)31-17-35)27(36)32-23-7-6-19(2)26(14-23)34-28-30-10-8-25(33-28)21-5-4-9-29-15-21;1-17-13-24(22(28)14-21(17)27)30-26-19(3)16-29-23-15-25(18(2)12-20(23)26)33-11-5-6-32-9-7-31(4)8-10-32/h3-9,14-17H,10-13,18H2,1-2H3,(H,36,41)(H,34,37,38);3-7,9,11-14,17-18H,8,10,15-16H2,1-2H3,(H,36,40)(H,35,37,38);3-6,9-14,17-18H,7-8,15-16H2,1-2H3,(H,37,40)(H,35,36,38);3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);4-17H,1-3H3,(H,32,36)(H,30,33,34);12-16H,5-11H2,1-4H3,(H,29,30)/t;2*18-;;;/m.00.../s1
InChIKeyILYMQIOPQDNXJJ-YGJJECJXSA-N
MW3114.42 g/mol
LogP33.66
Rot. Bonds41

About N-(2,4-dichloro-5-methylphenyl)-3,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-amine;3-methyl-5-(4-methylimidazol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(5-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide

N-(2,4-dichloro-5-methylphenyl)-3,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-amine;3-methyl-5-(4-methylimidazol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(5-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide (PubChem CID 163650635) has the molecular formula C170H173Cl2F9N40O6 and a molecular weight of 3114.42 g/mol. Its IUPAC name is N-(2,4-dichloro-5-methylphenyl)-3,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-amine;3-methyl-5-(4-methylimidazol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(5-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2,4-dichloro-5-methylphenyl)-3,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-amine;3-methyl-5-(4-methylimidazol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(5-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide
PubChem CID163650635
Molecular FormulaC170H173Cl2F9N40O6
Molecular Weight3114.42 g/mol
Exact Mass3111.37
IUPAC NameN-(2,4-dichloro-5-methylphenyl)-3,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-amine;3-methyl-5-(4-methylimidazol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(5-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc(-n2cnc(C)c2)c1.Cc1cc(Nc2c(C)cnc3cc(OCCCN4CCN(C)CC4)c(C)cc23)c(Cl)cc1Cl.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](C)C3)c(C(F)(F)F)c2)cc1Nc1ncc(-c2cncnc2)cn1.Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C29H29F3N8O.2C29H28F3N7O.C29H31N7O.C28H25N7O.C26H32Cl2N4O/c1-19-26(38-28-34-9-7-25(37-28)21-4-3-8-33-16-21)15-23(17-35-19)36-27(41)20-5-6-22(24(14-20)29(30,31)32)18-40-12-10-39(2)11-13-40;1-18-8-10-39(15-18)16-21-5-4-20(11-24(21)29(30,31)32)27(40)36-23-6-3-19(2)26(12-23)38-28-35-9-7-25(37-28)22-13-33-17-34-14-22;1-18-7-8-39(15-18)16-21-5-4-20(9-25(21)29(30,31)32)27(40)37-24-6-3-19(2)26(10-24)38-28-35-13-23(14-36-28)22-11-33-17-34-12-22;1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-18-11-22(13-24(12-18)35-16-20(3)31-17-35)27(36)32-23-7-6-19(2)26(14-23)34-28-30-10-8-25(33-28)21-5-4-9-29-15-21;1-17-13-24(22(28)14-21(17)27)30-26-19(3)16-29-23-15-25(18(2)12-20(23)26)33-11-5-6-32-9-7-31(4)8-10-32/h3-9,14-17H,10-13,18H2,1-2H3,(H,36,41)(H,34,37,38);3-7,9,11-14,17-18H,8,10,15-16H2,1-2H3,(H,36,40)(H,35,37,38);3-6,9-14,17-18H,7-8,15-16H2,1-2H3,(H,37,40)(H,35,36,38);3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);4-17H,1-3H3,(H,32,36)(H,30,33,34);12-16H,5-11H2,1-4H3,(H,29,30)/t;2*18-;;;/m.00.../s1
InChIKeyILYMQIOPQDNXJJ-YGJJECJXSA-N
XLogP33.66
TPSA515.56 Ų
H-Bond Donors11
H-Bond Acceptors41
Rotatable Bonds41
Heavy Atoms227
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003114.42
LogP ≤ 533.66
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2,4-dichloro-5-methylphenyl)-3,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-amine;3-methyl-5-(4-methylimidazol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(5-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichloro-5-methylphenyl)-3,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-amine;3-methyl-5-(4-methylimidazol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(5-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2,4-dichloro-5-methylphenyl)-3,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-amine;3-methyl-5-(4-methylimidazol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(5-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide (CID 163650635) is N-(2,4-dichloro-5-methylphenyl)-3,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-amine;3-methyl-5-(4-methylimidazol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(5-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2,4-dichloro-5-methylphenyl)-3,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-amine;3-methyl-5-(4-methylimidazol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(5-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2,4-dichloro-5-methylphenyl)-3,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-amine;3-methyl-5-(4-methylimidazol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(5-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide is Cc1cc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc(-n2cnc(C)c2)c1.Cc1cc(Nc2c(C)cnc3cc(OCCCN4CCN(C)CC4)c(C)cc23)c(Cl)cc1Cl.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](C)C3)c(C(F)(F)F)c2)cc1Nc1ncc(-c2cncnc2)cn1.Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of N-(2,4-dichloro-5-methylphenyl)-3,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-amine;3-methyl-5-(4-methylimidazol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(5-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ILYMQIOPQDNXJJ-YGJJECJXSA-N. The full InChI is InChI=1S/C29H29F3N8O.2C29H28F3N7O.C29H31N7O.C28H25N7O.C26H32Cl2N4O/c1-19-26(38-28-34-9-7-25(37-28)21-4-3-8-33-16-21)15-23(17-35-19)36-27(41)20-5-6-22(24(14-20)29(30,31)32)18-40-12-10-39(2)11-13-40;1-18-8-10-39(15-18)16-21-5-4-20(11-24(21)29(30,31)32)27(40)36-23-6-3-19(2)26(12-23)38-28-35-9-7-25(37-28)22-13-33-17-34-14-22;1-18-7-8-39(15-18)16-21-5-4-20(9-25(21)29(30,31)32)27(40)37-24-6-3-19(2)26(10-24)38-28-35-13-23(14-36-28)22-11-33-17-34-12-22;1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-18-11-22(13-24(12-18)35-16-20(3)31-17-35)27(36)32-23-7-6-19(2)26(14-23)34-28-30-10-8-25(33-28)21-5-4-9-29-15-21;1-17-13-24(22(28)14-21(17)27)30-26-19(3)16-29-23-15-25(18(2)12-20(23)26)33-11-5-6-32-9-7-31(4)8-10-32/h3-9,14-17H,10-13,18H2,1-2H3,(H,36,41)(H,34,37,38);3-7,9,11-14,17-18H,8,10,15-16H2,1-2H3,(H,36,40)(H,35,37,38);3-6,9-14,17-18H,7-8,15-16H2,1-2H3,(H,37,40)(H,35,36,38);3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);4-17H,1-3H3,(H,32,36)(H,30,33,34);12-16H,5-11H2,1-4H3,(H,29,30)/t;2*18-;;;/m.00.../s1.
What are the key properties of N-(2,4-dichloro-5-methylphenyl)-3,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-amine;3-methyl-5-(4-methylimidazol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(5-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide?
N-(2,4-dichloro-5-methylphenyl)-3,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-amine;3-methyl-5-(4-methylimidazol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(5-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 3114.42 g/mol, XLogP of 33.66, 41 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichloro-5-methylphenyl)-3,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-amine;3-methyl-5-(4-methylimidazol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(5-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 163650635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).