1-[3-[2-(2-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-(4-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-(2-methylquinazolin-7-yl)ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone

C167H163F15N24O5 — CID 162225195

IUPAC1-[3-[2-(2-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-(4-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-(2-methylquinazolin-7-yl)ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
SMILESCCCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(C#Cc4ccc5c(NC)ncnc5c4)c3)cc2C(F)(F)F)CC1.CCCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(C#Cc4ccc5cnc(C)nc5c4)c3)cc2C(F)(F)F)CC1.CNc1ncnc2cc(C#Cc3cc(C(=O)Cc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)ccc3C)ccc12.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccc2c(N)ncnc2c1.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccc2cnc(N)nc2c1
InChIInChI=1S/C35H36F3N5O.C35H35F3N4O.C33H32F3N5O.2C32H30F3N5O/c1-4-13-42-14-16-43(17-15-42)22-29-11-7-26(18-31(29)35(36,37)38)20-33(44)28-9-5-24(2)27(21-28)10-6-25-8-12-30-32(19-25)40-23-41-34(30)39-3;1-4-13-41-14-16-42(17-15-41)23-31-12-8-27(18-32(31)35(36,37)38)20-34(43)29-9-5-24(2)28(21-29)10-6-26-7-11-30-22-39-25(3)40-33(30)19-26;1-22-4-8-26(19-25(22)9-5-23-7-11-28-30(17-23)38-21-39-32(28)37-2)31(42)18-24-6-10-27(29(16-24)33(34,35)36)20-41-14-12-40(3)13-15-41;1-21-3-7-25(18-24(21)8-4-22-6-10-27-29(16-22)37-20-38-31(27)36)30(41)17-23-5-9-26(28(15-23)32(33,34)35)19-40-13-11-39(2)12-14-40;1-21-3-7-25(18-24(21)8-4-22-5-9-26-19-37-31(36)38-29(26)16-22)30(41)17-23-6-10-27(28(15-23)32(33,34)35)20-40-13-11-39(2)12-14-40/h5,7-9,11-12,18-19,21,23H,4,13-17,20,22H2,1-3H3,(H,39,40,41);5,7-9,11-12,18-19,21-22H,4,13-17,20,23H2,1-3H3;4,6-8,10-11,16-17,19,21H,12-15,18,20H2,1-3H3,(H,37,38,39);3,5-7,9-10,15-16,18,20H,11-14,17,19H2,1-2H3,(H2,36,37,38);3,5-7,9-10,15-16,18-19H,11-14,17,20H2,1-2H3,(H2,36,37,38)
InChIKeyZUQVESASTKAXHC-UHFFFAOYSA-N
MW2871.27 g/mol
LogP28.76
Rot. Bonds31

About 1-[3-[2-(2-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-(4-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-(2-methylquinazolin-7-yl)ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone

1-[3-[2-(2-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-(4-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-(2-methylquinazolin-7-yl)ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone (PubChem CID 162225195) has the molecular formula C167H163F15N24O5 and a molecular weight of 2871.27 g/mol. Its IUPAC name is 1-[3-[2-(2-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-(4-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-(2-methylquinazolin-7-yl)ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[2-(2-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-(4-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-(2-methylquinazolin-7-yl)ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
PubChem CID162225195
Molecular FormulaC167H163F15N24O5
Molecular Weight2871.27 g/mol
Exact Mass2869.30
IUPAC Name1-[3-[2-(2-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-(4-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-(2-methylquinazolin-7-yl)ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
SMILESCCCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(C#Cc4ccc5c(NC)ncnc5c4)c3)cc2C(F)(F)F)CC1.CCCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(C#Cc4ccc5cnc(C)nc5c4)c3)cc2C(F)(F)F)CC1.CNc1ncnc2cc(C#Cc3cc(C(=O)Cc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)ccc3C)ccc12.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccc2c(N)ncnc2c1.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccc2cnc(N)nc2c1
InChIInChI=1S/C35H36F3N5O.C35H35F3N4O.C33H32F3N5O.2C32H30F3N5O/c1-4-13-42-14-16-43(17-15-42)22-29-11-7-26(18-31(29)35(36,37)38)20-33(44)28-9-5-24(2)27(21-28)10-6-25-8-12-30-32(19-25)40-23-41-34(30)39-3;1-4-13-41-14-16-42(17-15-41)23-31-12-8-27(18-32(31)35(36,37)38)20-34(43)29-9-5-24(2)28(21-29)10-6-26-7-11-30-22-39-25(3)40-33(30)19-26;1-22-4-8-26(19-25(22)9-5-23-7-11-28-30(17-23)38-21-39-32(28)37-2)31(42)18-24-6-10-27(29(16-24)33(34,35)36)20-41-14-12-40(3)13-15-41;1-21-3-7-25(18-24(21)8-4-22-6-10-27-29(16-22)37-20-38-31(27)36)30(41)17-23-5-9-26(28(15-23)32(33,34)35)19-40-13-11-39(2)12-14-40;1-21-3-7-25(18-24(21)8-4-22-5-9-26-19-37-31(36)38-29(26)16-22)30(41)17-23-6-10-27(28(15-23)32(33,34)35)20-40-13-11-39(2)12-14-40/h5,7-9,11-12,18-19,21,23H,4,13-17,20,22H2,1-3H3,(H,39,40,41);5,7-9,11-12,18-19,21-22H,4,13-17,20,23H2,1-3H3;4,6-8,10-11,16-17,19,21H,12-15,18,20H2,1-3H3,(H,37,38,39);3,5-7,9-10,15-16,18,20H,11-14,17,19H2,1-2H3,(H2,36,37,38);3,5-7,9-10,15-16,18-19H,11-14,17,20H2,1-2H3,(H2,36,37,38)
InChIKeyZUQVESASTKAXHC-UHFFFAOYSA-N
XLogP28.76
TPSA322.75 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds31
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002871.27
LogP ≤ 528.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 1-[3-[2-(2-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-(4-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-(2-methylquinazolin-7-yl)ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone 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-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-(2-(2-(piperidin-1-yl)ethylamino)quinazolin-6-yl)benzamide
CID 16086076
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 16086105
4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 56663021
4-cyclopropyl-3-[2-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 156038236
N-[4-methyl-3-[1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 145977177
N-[(1S)-1-[4-cyclopropyl-3-[2-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]phenyl]ethyl]-3-(trifluoromethyl)benzamide
CID 156038313
4-[4-(pyridin-2-ylmethylamino)-2-pyrimidin-5-ylquinazolin-5-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 137631739
4-[4-(Pyridin-2-ylmethylamino)-2-pyrimidin-5-ylquinazolin-5-yl]benzamide
CID 137655515
N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-(trifluoromethyl)benzamide
CID 5087166
N-[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(E)-2-[5-[(2-methyl-6-piperazino-pyrimidin-4-yl)amino]pyrazin-2-yl]vinyl]benzamide;2,2,2-trifluoroacetic acid
CID 24816493
US12486251, Example 30
CID 166806600
US12486251, Example 47
CID 167524042

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-(4-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-(2-methylquinazolin-7-yl)ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[3-[2-(2-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-(4-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-(2-methylquinazolin-7-yl)ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone (CID 162225195) is 1-[3-[2-(2-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-(4-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-(2-methylquinazolin-7-yl)ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-[2-(2-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-(4-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-(2-methylquinazolin-7-yl)ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-[2-(2-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-(4-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-(2-methylquinazolin-7-yl)ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone is CCCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(C#Cc4ccc5c(NC)ncnc5c4)c3)cc2C(F)(F)F)CC1.CCCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(C#Cc4ccc5cnc(C)nc5c4)c3)cc2C(F)(F)F)CC1.CNc1ncnc2cc(C#Cc3cc(C(=O)Cc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)ccc3C)ccc12.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccc2c(N)ncnc2c1.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccc2cnc(N)nc2c1.
What is the InChIKey of 1-[3-[2-(2-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-(4-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-(2-methylquinazolin-7-yl)ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is ZUQVESASTKAXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36F3N5O.C35H35F3N4O.C33H32F3N5O.2C32H30F3N5O/c1-4-13-42-14-16-43(17-15-42)22-29-11-7-26(18-31(29)35(36,37)38)20-33(44)28-9-5-24(2)27(21-28)10-6-25-8-12-30-32(19-25)40-23-41-34(30)39-3;1-4-13-41-14-16-42(17-15-41)23-31-12-8-27(18-32(31)35(36,37)38)20-34(43)29-9-5-24(2)28(21-29)10-6-26-7-11-30-22-39-25(3)40-33(30)19-26;1-22-4-8-26(19-25(22)9-5-23-7-11-28-30(17-23)38-21-39-32(28)37-2)31(42)18-24-6-10-27(29(16-24)33(34,35)36)20-41-14-12-40(3)13-15-41;1-21-3-7-25(18-24(21)8-4-22-6-10-27-29(16-22)37-20-38-31(27)36)30(41)17-23-5-9-26(28(15-23)32(33,34)35)19-40-13-11-39(2)12-14-40;1-21-3-7-25(18-24(21)8-4-22-5-9-26-19-37-31(36)38-29(26)16-22)30(41)17-23-6-10-27(28(15-23)32(33,34)35)20-40-13-11-39(2)12-14-40/h5,7-9,11-12,18-19,21,23H,4,13-17,20,22H2,1-3H3,(H,39,40,41);5,7-9,11-12,18-19,21-22H,4,13-17,20,23H2,1-3H3;4,6-8,10-11,16-17,19,21H,12-15,18,20H2,1-3H3,(H,37,38,39);3,5-7,9-10,15-16,18,20H,11-14,17,19H2,1-2H3,(H2,36,37,38);3,5-7,9-10,15-16,18-19H,11-14,17,20H2,1-2H3,(H2,36,37,38).
What are the key properties of 1-[3-[2-(2-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-(4-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-(2-methylquinazolin-7-yl)ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone?
1-[3-[2-(2-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-(4-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-(2-methylquinazolin-7-yl)ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 2871.27 g/mol, XLogP of 28.76, 31 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-(4-aminoquinazolin-7-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[4-(methylamino)quinazolin-7-yl]ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-(2-methylquinazolin-7-yl)ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 162225195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).