2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol

C250H327F13N40O12 — CID 159950778

IUPAC2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol
SMILESCN(C)c1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CCCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.CN(C)c1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CCCC3)nc3ccc(N(C)CCO)cc23)CC1.CN(C)c1ccccc1C1CCN(c2nc(C3(C)CCCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.CN(C)c1ccccc1C1CCN(c2nc(C3(C)CCCC3)nc3ccc(N(C)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CCCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CCCC3)nc3ccc(N(C)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C)CCCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(F)CCC3)nc3ccc(N(C)CCO)cc23)CC1
InChIInChI=1S/C34H45F3N6O.C34H48N6O.C33H42F3N5O2.C33H45N5O2.C30H38F3N5O.C30H41N5O.C29H35F3N4O2.C27H33FN4O2/c1-40(2)30-9-5-4-8-27(30)25-12-16-43(17-13-25)31-28-24-26(41(3)18-19-42-20-22-44-23-21-42)10-11-29(28)38-32(39-31)33(34(35,36)37)14-6-7-15-33;1-34(15-7-8-16-34)33-35-30-12-11-27(38(4)19-20-39-21-23-41-24-22-39)25-29(30)32(36-33)40-17-13-26(14-18-40)28-9-5-6-10-31(28)37(2)3;1-39(17-18-40-19-21-43-22-20-40)25-9-10-28-27(23-25)30(38-31(37-28)32(33(34,35)36)13-5-6-14-32)41-15-11-24(12-16-41)26-7-3-4-8-29(26)42-2;1-33(14-6-7-15-33)32-34-29-11-10-26(36(2)18-19-37-20-22-40-23-21-37)24-28(29)31(35-32)38-16-12-25(13-17-38)27-8-4-5-9-30(27)39-3;1-36(2)26-9-5-4-8-23(26)21-12-16-38(17-13-21)27-24-20-22(37(3)18-19-39)10-11-25(24)34-28(35-27)29(30(31,32)33)14-6-7-15-29;1-30(15-7-8-16-30)29-31-26-12-11-23(34(4)19-20-36)21-25(26)28(32-29)35-17-13-22(14-18-35)24-9-5-6-10-27(24)33(2)3;1-35(17-18-37)21-9-10-24-23(19-21)26(34-27(33-24)28(29(30,31)32)13-5-6-14-28)36-15-11-20(12-16-36)22-7-3-4-8-25(22)38-2;1-31(16-17-33)20-8-9-23-22(18-20)25(30-26(29-23)27(28)12-5-13-27)32-14-10-19(11-15-32)21-6-3-4-7-24(21)34-2/h4-5,8-11,24-25H,6-7,12-23H2,1-3H3;5-6,9-12,25-26H,7-8,13-24H2,1-4H3;3-4,7-10,23-24H,5-6,11-22H2,1-2H3;4-5,8-11,24-25H,6-7,12-23H2,1-3H3;4-5,8-11,20-21,39H,6-7,12-19H2,1-3H3;5-6,9-12,21-22,36H,7-8,13-20H2,1-4H3;3-4,7-10,19-20,37H,5-6,11-18H2,1-2H3;3-4,6-9,18-19,33H,5,10-17H2,1-2H3
InChIKeyOCBVCAWLIHWMSI-UHFFFAOYSA-N
MW4331.61 g/mol
LogP45.54
Rot. Bonds60

About 2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol

2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol (PubChem CID 159950778) has the molecular formula C250H327F13N40O12 and a molecular weight of 4331.61 g/mol. Its IUPAC name is 2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol
PubChem CID159950778
Molecular FormulaC250H327F13N40O12
Molecular Weight4331.61 g/mol
Exact Mass4328.60
IUPAC Name2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol
SMILESCN(C)c1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CCCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.CN(C)c1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CCCC3)nc3ccc(N(C)CCO)cc23)CC1.CN(C)c1ccccc1C1CCN(c2nc(C3(C)CCCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.CN(C)c1ccccc1C1CCN(c2nc(C3(C)CCCC3)nc3ccc(N(C)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CCCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CCCC3)nc3ccc(N(C)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C)CCCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(F)CCC3)nc3ccc(N(C)CCO)cc23)CC1
InChIInChI=1S/C34H45F3N6O.C34H48N6O.C33H42F3N5O2.C33H45N5O2.C30H38F3N5O.C30H41N5O.C29H35F3N4O2.C27H33FN4O2/c1-40(2)30-9-5-4-8-27(30)25-12-16-43(17-13-25)31-28-24-26(41(3)18-19-42-20-22-44-23-21-42)10-11-29(28)38-32(39-31)33(34(35,36)37)14-6-7-15-33;1-34(15-7-8-16-34)33-35-30-12-11-27(38(4)19-20-39-21-23-41-24-22-39)25-29(30)32(36-33)40-17-13-26(14-18-40)28-9-5-6-10-31(28)37(2)3;1-39(17-18-40-19-21-43-22-20-40)25-9-10-28-27(23-25)30(38-31(37-28)32(33(34,35)36)13-5-6-14-32)41-15-11-24(12-16-41)26-7-3-4-8-29(26)42-2;1-33(14-6-7-15-33)32-34-29-11-10-26(36(2)18-19-37-20-22-40-23-21-37)24-28(29)31(35-32)38-16-12-25(13-17-38)27-8-4-5-9-30(27)39-3;1-36(2)26-9-5-4-8-23(26)21-12-16-38(17-13-21)27-24-20-22(37(3)18-19-39)10-11-25(24)34-28(35-27)29(30(31,32)33)14-6-7-15-29;1-30(15-7-8-16-30)29-31-26-12-11-23(34(4)19-20-36)21-25(26)28(32-29)35-17-13-22(14-18-35)24-9-5-6-10-27(24)33(2)3;1-35(17-18-37)21-9-10-24-23(19-21)26(34-27(33-24)28(29(30,31)32)13-5-6-14-28)36-15-11-20(12-16-36)22-7-3-4-8-25(22)38-2;1-31(16-17-33)20-8-9-23-22(18-20)25(30-26(29-23)27(28)12-5-13-27)32-14-10-19(11-15-32)21-6-3-4-7-24(21)34-2/h4-5,8-11,24-25H,6-7,12-23H2,1-3H3;5-6,9-12,25-26H,7-8,13-24H2,1-4H3;3-4,7-10,23-24H,5-6,11-22H2,1-2H3;4-5,8-11,24-25H,6-7,12-23H2,1-3H3;4-5,8-11,20-21,39H,6-7,12-19H2,1-3H3;5-6,9-12,21-22,36H,7-8,13-20H2,1-4H3;3-4,7-10,19-20,37H,5-6,11-18H2,1-2H3;3-4,6-9,18-19,33H,5,10-17H2,1-2H3
InChIKeyOCBVCAWLIHWMSI-UHFFFAOYSA-N
XLogP45.54
TPSA438.76 Ų
H-Bond Donors4
H-Bond Acceptors52
Rotatable Bonds60
Heavy Atoms315
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004331.61
LogP ≤ 545.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1052

Analyze 2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol?
The IUPAC name of 2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol (CID 159950778) is 2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol is CN(C)c1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CCCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.CN(C)c1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CCCC3)nc3ccc(N(C)CCO)cc23)CC1.CN(C)c1ccccc1C1CCN(c2nc(C3(C)CCCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.CN(C)c1ccccc1C1CCN(c2nc(C3(C)CCCC3)nc3ccc(N(C)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CCCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CCCC3)nc3ccc(N(C)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C)CCCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(F)CCC3)nc3ccc(N(C)CCO)cc23)CC1.
What is the InChIKey of 2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol?
The InChIKey is OCBVCAWLIHWMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45F3N6O.C34H48N6O.C33H42F3N5O2.C33H45N5O2.C30H38F3N5O.C30H41N5O.C29H35F3N4O2.C27H33FN4O2/c1-40(2)30-9-5-4-8-27(30)25-12-16-43(17-13-25)31-28-24-26(41(3)18-19-42-20-22-44-23-21-42)10-11-29(28)38-32(39-31)33(34(35,36)37)14-6-7-15-33;1-34(15-7-8-16-34)33-35-30-12-11-27(38(4)19-20-39-21-23-41-24-22-39)25-29(30)32(36-33)40-17-13-26(14-18-40)28-9-5-6-10-31(28)37(2)3;1-39(17-18-40-19-21-43-22-20-40)25-9-10-28-27(23-25)30(38-31(37-28)32(33(34,35)36)13-5-6-14-32)41-15-11-24(12-16-41)26-7-3-4-8-29(26)42-2;1-33(14-6-7-15-33)32-34-29-11-10-26(36(2)18-19-37-20-22-40-23-21-37)24-28(29)31(35-32)38-16-12-25(13-17-38)27-8-4-5-9-30(27)39-3;1-36(2)26-9-5-4-8-23(26)21-12-16-38(17-13-21)27-24-20-22(37(3)18-19-39)10-11-25(24)34-28(35-27)29(30(31,32)33)14-6-7-15-29;1-30(15-7-8-16-30)29-31-26-12-11-23(34(4)19-20-36)21-25(26)28(32-29)35-17-13-22(14-18-35)24-9-5-6-10-27(24)33(2)3;1-35(17-18-37)21-9-10-24-23(19-21)26(34-27(33-24)28(29(30,31)32)13-5-6-14-28)36-15-11-20(12-16-36)22-7-3-4-8-25(22)38-2;1-31(16-17-33)20-8-9-23-22(18-20)25(30-26(29-23)27(28)12-5-13-27)32-14-10-19(11-15-32)21-6-3-4-7-24(21)34-2/h4-5,8-11,24-25H,6-7,12-23H2,1-3H3;5-6,9-12,25-26H,7-8,13-24H2,1-4H3;3-4,7-10,23-24H,5-6,11-22H2,1-2H3;4-5,8-11,24-25H,6-7,12-23H2,1-3H3;4-5,8-11,20-21,39H,6-7,12-19H2,1-3H3;5-6,9-12,21-22,36H,7-8,13-20H2,1-4H3;3-4,7-10,19-20,37H,5-6,11-18H2,1-2H3;3-4,6-9,18-19,33H,5,10-17H2,1-2H3.
What are the key properties of 2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol?
2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol has a molecular weight of 4331.61 g/mol, XLogP of 45.54, 60 rotatable bonds, 4 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol is sourced from PubChem (CID 159950778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).