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

C120H151F9N20O6 — CID 161385602

IUPAC4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-yl]-methylamino]ethanol;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine
SMILESCN(C)c1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.CN(C)c1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CC3)nc3ccc(N(C)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C)CCCC3)nc3ccc(N(C)CCO)cc23)CC1
InChIInChI=1S/C32H41F3N6O.C31H38F3N5O2.C29H38N4O2.C28H34F3N5O/c1-38(2)28-7-5-4-6-25(28)23-10-14-41(15-11-23)29-26-22-24(39(3)16-17-40-18-20-42-21-19-40)8-9-27(26)36-30(37-29)31(12-13-31)32(33,34)35;1-37(15-16-38-17-19-41-20-18-38)23-7-8-26-25(21-23)28(36-29(35-26)30(11-12-30)31(32,33)34)39-13-9-22(10-14-39)24-5-3-4-6-27(24)40-2;1-29(14-6-7-15-29)28-30-25-11-10-22(32(2)18-19-34)20-24(25)27(31-28)33-16-12-21(13-17-33)23-8-4-5-9-26(23)35-3;1-34(2)24-7-5-4-6-21(24)19-10-14-36(15-11-19)25-22-18-20(35(3)16-17-37)8-9-23(22)32-26(33-25)27(12-13-27)28(29,30)31/h4-9,22-23H,10-21H2,1-3H3;3-8,21-22H,9-20H2,1-2H3;4-5,8-11,20-21,34H,6-7,12-19H2,1-3H3;4-9,18-19,37H,10-17H2,1-3H3
InChIKeyVSHLVTQWGGYDRC-UHFFFAOYSA-N
MW2140.64 g/mol
LogP21.21
Rot. Bonds30

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

4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-yl]-methylamino]ethanol;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine (PubChem CID 161385602) has the molecular formula C120H151F9N20O6 and a molecular weight of 2140.64 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-yl]-methylamino]ethanol;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-yl]-methylamino]ethanol;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine
PubChem CID161385602
Molecular FormulaC120H151F9N20O6
Molecular Weight2140.64 g/mol
Exact Mass2139.20
IUPAC Name4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-yl]-methylamino]ethanol;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine
SMILESCN(C)c1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.CN(C)c1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CC3)nc3ccc(N(C)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C)CCCC3)nc3ccc(N(C)CCO)cc23)CC1
InChIInChI=1S/C32H41F3N6O.C31H38F3N5O2.C29H38N4O2.C28H34F3N5O/c1-38(2)28-7-5-4-6-25(28)23-10-14-41(15-11-23)29-26-22-24(39(3)16-17-40-18-20-42-21-19-40)8-9-27(26)36-30(37-29)31(12-13-31)32(33,34)35;1-37(15-16-38-17-19-41-20-18-38)23-7-8-26-25(21-23)28(36-29(35-26)30(11-12-30)31(32,33)34)39-13-9-22(10-14-39)24-5-3-4-6-27(24)40-2;1-29(14-6-7-15-29)28-30-25-11-10-22(32(2)18-19-34)20-24(25)27(31-28)33-16-12-21(13-17-33)23-8-4-5-9-26(23)35-3;1-34(2)24-7-5-4-6-21(24)19-10-14-36(15-11-19)25-22-18-20(35(3)16-17-37)8-9-23(22)32-26(33-25)27(12-13-27)28(29,30)31/h4-9,22-23H,10-21H2,1-3H3;3-8,21-22H,9-20H2,1-2H3;4-5,8-11,20-21,34H,6-7,12-19H2,1-3H3;4-9,18-19,37H,10-17H2,1-3H3
InChIKeyVSHLVTQWGGYDRC-UHFFFAOYSA-N
XLogP21.21
TPSA219.38 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002140.64
LogP ≤ 521.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze 4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-yl]-methylamino]ethanol;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine 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
2-[[2-Cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 90237403
US10118902, Example 125
CID 118610338
US10118902, Example 47
CID 118610411
US10118902, Example 59
CID 118610423
US10118902, Example 133
CID 118610426
US10118902, Example 132
CID 118617599
US10118902, Example 117
CID 118617645
US10118902, Example 175
CID 118617787
2-[[4-[4-(2-Methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol
CID 118617810
US10118902, Example 34
CID 90237301

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-yl]-methylamino]ethanol;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine?
The IUPAC name of 4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-yl]-methylamino]ethanol;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine (CID 161385602) is 4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-yl]-methylamino]ethanol;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine.
What is the SMILES notation for 4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-yl]-methylamino]ethanol;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine?
The canonical SMILES for 4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-yl]-methylamino]ethanol;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine is CN(C)c1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.CN(C)c1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CC3)nc3ccc(N(C)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C)CCCC3)nc3ccc(N(C)CCO)cc23)CC1.
What is the InChIKey of 4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-yl]-methylamino]ethanol;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine?
The InChIKey is VSHLVTQWGGYDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41F3N6O.C31H38F3N5O2.C29H38N4O2.C28H34F3N5O/c1-38(2)28-7-5-4-6-25(28)23-10-14-41(15-11-23)29-26-22-24(39(3)16-17-40-18-20-42-21-19-40)8-9-27(26)36-30(37-29)31(12-13-31)32(33,34)35;1-37(15-16-38-17-19-41-20-18-38)23-7-8-26-25(21-23)28(36-29(35-26)30(11-12-30)31(32,33)34)39-13-9-22(10-14-39)24-5-3-4-6-27(24)40-2;1-29(14-6-7-15-29)28-30-25-11-10-22(32(2)18-19-34)20-24(25)27(31-28)33-16-12-21(13-17-33)23-8-4-5-9-26(23)35-3;1-34(2)24-7-5-4-6-21(24)19-10-14-36(15-11-19)25-22-18-20(35(3)16-17-37)8-9-23(22)32-26(33-25)27(12-13-27)28(29,30)31/h4-9,22-23H,10-21H2,1-3H3;3-8,21-22H,9-20H2,1-2H3;4-5,8-11,20-21,34H,6-7,12-19H2,1-3H3;4-9,18-19,37H,10-17H2,1-3H3.
What are the key properties of 4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-yl]-methylamino]ethanol;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine?
4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-yl]-methylamino]ethanol;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine has a molecular weight of 2140.64 g/mol, XLogP of 21.21, 30 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-yl]-methylamino]ethanol;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine is sourced from PubChem (CID 161385602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).