1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[5-[7-(dimethylamino)quinazolin-4-yl]oxyindol-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;1-[4-[7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylpropan-2-one;1-[4-[7-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one

C144H137ClF9N21O12 — CID 165036869

IUPAC1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[5-[7-(dimethylamino)quinazolin-4-yl]oxyindol-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;1-[4-[7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylpropan-2-one;1-[4-[7-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one
SMILESCN(C)c1ccc2c(Oc3ccc4c(ccn4C(=O)CCc4ccc(C(F)(F)F)nc4)c3)ncnc2c1.CN1CCN(c2ccc3c(Oc4ccc(CC(=O)CCc5ccc(C(F)(F)F)nc5)cc4)ncnc3c2)CC1.COC1CCN(c2ccc3c(Oc4ccc(CC(=O)Cc5ccc(Cl)cc5)cc4)ncnc3c2)CC1.COC1CCN(c2ccc3c(Oc4ccc(CC(=O)Cc5ccccc5)cc4)ncnc3c2)CC1.C[C@@H]1CN(c2ccc3c(Oc4ccc(CC(=O)CCc5ccc(C(F)(F)F)nc5)cc4)ncnc3c2)C[C@H](C)N1
InChIInChI=1S/C30H30F3N5O2.C29H28ClN3O3.C29H28F3N5O2.C29H29N3O3.C27H22F3N5O2/c1-19-16-38(17-20(2)37-19)23-7-11-26-27(14-23)35-18-36-29(26)40-25-9-4-21(5-10-25)13-24(39)8-3-22-6-12-28(34-15-22)30(31,32)33;1-35-25-12-14-33(15-13-25)23-8-11-27-28(18-23)31-19-32-29(27)36-26-9-4-21(5-10-26)17-24(34)16-20-2-6-22(30)7-3-20;1-36-12-14-37(15-13-36)22-6-10-25-26(17-22)34-19-35-28(25)39-24-8-3-20(4-9-24)16-23(38)7-2-21-5-11-27(33-18-21)29(30,31)32;1-34-25-13-15-32(16-14-25)23-9-12-27-28(19-23)30-20-31-29(27)35-26-10-7-22(8-11-26)18-24(33)17-21-5-3-2-4-6-21;1-34(2)19-5-7-21-22(14-19)32-16-33-26(21)37-20-6-8-23-18(13-20)11-12-35(23)25(36)10-4-17-3-9-24(31-15-17)27(28,29)30/h4-7,9-12,14-15,18-20,37H,3,8,13,16-17H2,1-2H3;2-11,18-19,25H,12-17H2,1H3;3-6,8-11,17-19H,2,7,12-16H2,1H3;2-12,19-20,25H,13-18H2,1H3;3,5-9,11-16H,4,10H2,1-2H3/t19-,20+;;;;
InChIKeyNMVFTKCEKAJCPJ-BQZOSCDRSA-N
MW2560.25 g/mol
LogP28.67
Rot. Bonds38

About 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[5-[7-(dimethylamino)quinazolin-4-yl]oxyindol-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;1-[4-[7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylpropan-2-one;1-[4-[7-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one

1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[5-[7-(dimethylamino)quinazolin-4-yl]oxyindol-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;1-[4-[7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylpropan-2-one;1-[4-[7-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one (PubChem CID 165036869) has the molecular formula C144H137ClF9N21O12 and a molecular weight of 2560.25 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[5-[7-(dimethylamino)quinazolin-4-yl]oxyindol-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;1-[4-[7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylpropan-2-one;1-[4-[7-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[5-[7-(dimethylamino)quinazolin-4-yl]oxyindol-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;1-[4-[7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylpropan-2-one;1-[4-[7-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one
PubChem CID165036869
Molecular FormulaC144H137ClF9N21O12
Molecular Weight2560.25 g/mol
Exact Mass2558.03
IUPAC Name1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[5-[7-(dimethylamino)quinazolin-4-yl]oxyindol-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;1-[4-[7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylpropan-2-one;1-[4-[7-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one
SMILESCN(C)c1ccc2c(Oc3ccc4c(ccn4C(=O)CCc4ccc(C(F)(F)F)nc4)c3)ncnc2c1.CN1CCN(c2ccc3c(Oc4ccc(CC(=O)CCc5ccc(C(F)(F)F)nc5)cc4)ncnc3c2)CC1.COC1CCN(c2ccc3c(Oc4ccc(CC(=O)Cc5ccc(Cl)cc5)cc4)ncnc3c2)CC1.COC1CCN(c2ccc3c(Oc4ccc(CC(=O)Cc5ccccc5)cc4)ncnc3c2)CC1.C[C@@H]1CN(c2ccc3c(Oc4ccc(CC(=O)CCc5ccc(C(F)(F)F)nc5)cc4)ncnc3c2)C[C@H](C)N1
InChIInChI=1S/C30H30F3N5O2.C29H28ClN3O3.C29H28F3N5O2.C29H29N3O3.C27H22F3N5O2/c1-19-16-38(17-20(2)37-19)23-7-11-26-27(14-23)35-18-36-29(26)40-25-9-4-21(5-10-25)13-24(39)8-3-22-6-12-28(34-15-22)30(31,32)33;1-35-25-12-14-33(15-13-25)23-8-11-27-28(18-23)31-19-32-29(27)36-26-9-4-21(5-10-26)17-24(34)16-20-2-6-22(30)7-3-20;1-36-12-14-37(15-13-36)22-6-10-25-26(17-22)34-19-35-28(25)39-24-8-3-20(4-9-24)16-23(38)7-2-21-5-11-27(33-18-21)29(30,31)32;1-34-25-13-15-32(16-14-25)23-9-12-27-28(19-23)30-20-31-29(27)35-26-10-7-22(8-11-26)18-24(33)17-21-5-3-2-4-6-21;1-34(2)19-5-7-21-22(14-19)32-16-33-26(21)37-20-6-8-23-18(13-20)11-12-35(23)25(36)10-4-17-3-9-24(31-15-17)27(28,29)30/h4-7,9-12,14-15,18-20,37H,3,8,13,16-17H2,1-2H3;2-11,18-19,25H,12-17H2,1H3;3-6,8-11,17-19H,2,7,12-16H2,1H3;2-12,19-20,25H,13-18H2,1H3;3,5-9,11-16H,4,10H2,1-2H3/t19-,20+;;;;
InChIKeyNMVFTKCEKAJCPJ-BQZOSCDRSA-N
XLogP28.67
TPSA353.93 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds38
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002560.25
LogP ≤ 528.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Analyze 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[5-[7-(dimethylamino)quinazolin-4-yl]oxyindol-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;1-[4-[7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylpropan-2-one;1-[4-[7-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one with MolForge

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Related Compounds

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-[[1-[4-(trifluoromethyl)phenyl]-4-piperidyl]oxy]phenyl]quinazolin-4-amine
CID 163201806
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-fluoro-N-[4-[[1-[4-(trifluoromethyl)phenyl]-4-piperidyl]oxy]phenyl]quinazolin-4-amine
CID 163202141
5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(diethylamino)-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 87434510
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-1-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]urea
CID 164962863
1-(4-Chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea;1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylurea
CID 165001609
5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-1-carboxamide;1-[4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-hydroxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-[3-hydroxypropyl(methyl)amino]quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 165031494
1-[5-[7-(dimethylamino)quinazolin-4-yl]oxyindazol-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;1-[4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-4-(6-methyl-3-pyridinyl)butan-2-one;1-[4-[7-(4-hydroxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;4-(6-methyl-3-pyridinyl)-1-[4-[7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]butan-2-one
CID 165042451
1-(4-Chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxy-2-methoxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(4-methoxyphenyl)butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-2-one
CID 165083403
(E)-4-[butyl(methyl)amino]-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]methyl]phenyl]but-2-enamide;(E)-1-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-5-[3-methoxypropyl(methyl)amino]pent-3-en-2-one;(E)-1-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-5-[methyl(pentyl)amino]pent-3-en-2-one;methane
CID 159240607
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;N-[4-methyl-3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,3,4-trimethylpiperazin-1-yl)methyl]benzamide;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)
CID 159258377
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;N-[4-methyl-3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(1,2,3-trimethylpiperidin-4-yl)methyl]benzamide;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)
CID 160716647
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)
CID 161401152

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[5-[7-(dimethylamino)quinazolin-4-yl]oxyindol-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;1-[4-[7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylpropan-2-one;1-[4-[7-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[5-[7-(dimethylamino)quinazolin-4-yl]oxyindol-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;1-[4-[7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylpropan-2-one;1-[4-[7-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one (CID 165036869) is 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[5-[7-(dimethylamino)quinazolin-4-yl]oxyindol-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;1-[4-[7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylpropan-2-one;1-[4-[7-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[5-[7-(dimethylamino)quinazolin-4-yl]oxyindol-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;1-[4-[7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylpropan-2-one;1-[4-[7-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[5-[7-(dimethylamino)quinazolin-4-yl]oxyindol-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;1-[4-[7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylpropan-2-one;1-[4-[7-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one is CN(C)c1ccc2c(Oc3ccc4c(ccn4C(=O)CCc4ccc(C(F)(F)F)nc4)c3)ncnc2c1.CN1CCN(c2ccc3c(Oc4ccc(CC(=O)CCc5ccc(C(F)(F)F)nc5)cc4)ncnc3c2)CC1.COC1CCN(c2ccc3c(Oc4ccc(CC(=O)Cc5ccc(Cl)cc5)cc4)ncnc3c2)CC1.COC1CCN(c2ccc3c(Oc4ccc(CC(=O)Cc5ccccc5)cc4)ncnc3c2)CC1.C[C@@H]1CN(c2ccc3c(Oc4ccc(CC(=O)CCc5ccc(C(F)(F)F)nc5)cc4)ncnc3c2)C[C@H](C)N1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[5-[7-(dimethylamino)quinazolin-4-yl]oxyindol-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;1-[4-[7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylpropan-2-one;1-[4-[7-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one?
The InChIKey is NMVFTKCEKAJCPJ-BQZOSCDRSA-N. The full InChI is InChI=1S/C30H30F3N5O2.C29H28ClN3O3.C29H28F3N5O2.C29H29N3O3.C27H22F3N5O2/c1-19-16-38(17-20(2)37-19)23-7-11-26-27(14-23)35-18-36-29(26)40-25-9-4-21(5-10-25)13-24(39)8-3-22-6-12-28(34-15-22)30(31,32)33;1-35-25-12-14-33(15-13-25)23-8-11-27-28(18-23)31-19-32-29(27)36-26-9-4-21(5-10-26)17-24(34)16-20-2-6-22(30)7-3-20;1-36-12-14-37(15-13-36)22-6-10-25-26(17-22)34-19-35-28(25)39-24-8-3-20(4-9-24)16-23(38)7-2-21-5-11-27(33-18-21)29(30,31)32;1-34-25-13-15-32(16-14-25)23-9-12-27-28(19-23)30-20-31-29(27)35-26-10-7-22(8-11-26)18-24(33)17-21-5-3-2-4-6-21;1-34(2)19-5-7-21-22(14-19)32-16-33-26(21)37-20-6-8-23-18(13-20)11-12-35(23)25(36)10-4-17-3-9-24(31-15-17)27(28,29)30/h4-7,9-12,14-15,18-20,37H,3,8,13,16-17H2,1-2H3;2-11,18-19,25H,12-17H2,1H3;3-6,8-11,17-19H,2,7,12-16H2,1H3;2-12,19-20,25H,13-18H2,1H3;3,5-9,11-16H,4,10H2,1-2H3/t19-,20+;;;;.
What are the key properties of 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[5-[7-(dimethylamino)quinazolin-4-yl]oxyindol-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;1-[4-[7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylpropan-2-one;1-[4-[7-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one?
1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[5-[7-(dimethylamino)quinazolin-4-yl]oxyindol-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;1-[4-[7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylpropan-2-one;1-[4-[7-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one has a molecular weight of 2560.25 g/mol, XLogP of 28.67, 38 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[5-[7-(dimethylamino)quinazolin-4-yl]oxyindol-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;1-[4-[7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylpropan-2-one;1-[4-[7-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one is sourced from PubChem (CID 165036869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).