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

C126H169F3N20O6 — CID 160898927

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-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)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)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)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C)CCCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1
InChIInChI=1S/C34H48N6O.C33H45N5O2.C30H41N5O.C29H35F3N4O2/c1-34(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;1-33(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;1-30(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/h5-6,9-12,25-26H,7-8,13-24H2,1-4H3;4-5,8-11,24-25H,6-7,12-23H2,1-3H3;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
InChIKeySPFYBEPMMMNPRE-UHFFFAOYSA-N
MW2116.87 g/mol
LogP22.47
Rot. Bonds30

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-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)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-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol (PubChem CID 160898927) has the molecular formula C126H169F3N20O6 and a molecular weight of 2116.87 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-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)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-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol
PubChem CID160898927
Molecular FormulaC126H169F3N20O6
Molecular Weight2116.87 g/mol
Exact Mass2115.35
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-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)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)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)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C)CCCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1
InChIInChI=1S/C34H48N6O.C33H45N5O2.C30H41N5O.C29H35F3N4O2/c1-34(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;1-33(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;1-30(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/h5-6,9-12,25-26H,7-8,13-24H2,1-4H3;4-5,8-11,24-25H,6-7,12-23H2,1-3H3;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
InChIKeySPFYBEPMMMNPRE-UHFFFAOYSA-N
XLogP22.47
TPSA219.38 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002116.87
LogP ≤ 522.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

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

2-((2-(1-Fluorocyclopropyl)-4-(4-(2-methoxyphenyl)piperidin-1-yl)quinazolin-6-yl)(methyl)amino)ethan-1-ol
CID 118610427
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine
CID 90237274
US10118902, Example 47
CID 118610411
US10118902, Example 59
CID 118610423
2-[[4-[4-(2-Methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol
CID 118617810
US10118902, Example 34
CID 90237301
US10118902, Example 144
CID 118610246
US10118902, Example 38
CID 118610255
US10118902, Example 17
CID 118617570
US10118902, Example 70
CID 118617724
US10118902, Example 48
CID 118617792
US10118902, Example 60
CID 118617589

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-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)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-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol (CID 160898927) 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-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)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-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)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-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)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)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)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C)CCCC3)nc3ccc(N(C)CCN4CCOCC4)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-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol?
The InChIKey is SPFYBEPMMMNPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N6O.C33H45N5O2.C30H41N5O.C29H35F3N4O2/c1-34(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;1-33(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;1-30(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/h5-6,9-12,25-26H,7-8,13-24H2,1-4H3;4-5,8-11,24-25H,6-7,12-23H2,1-3H3;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.
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-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)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-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)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 2116.87 g/mol, XLogP of 22.47, 30 rotatable bonds, 2 hydrogen bond donors, and 26 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-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)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 160898927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).