N-(4-bromo-2-fluorophenyl)-6-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;1-[4-[6-methyl-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanone;3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol

C162H180BrCl2F6N31O18S — CID 161382283

IUPACN-(4-bromo-2-fluorophenyl)-6-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;1-[4-[6-methyl-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanone;3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(O)CN1CCOCC1.Cc1cc2c(N3CCN(C(=O)Cc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1.Cc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1.Cc1nc(Nc2ncc(C(=O)Cc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1.Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1
InChIInChI=1S/C32H43N5O3.C23H27ClN6O2S.C23H27FN4O4.C22H24BrFN4O.C22H27FN4O2.C21H16ClF3N4O3.C19H16N4O3/c1-24(2)40-27-10-8-26(9-11-27)21-31(38)36-15-17-37(18-16-36)32-28-20-25(3)30(22-29(28)33-23-34-32)39-19-7-14-35-12-5-4-6-13-35;1-15-4-3-5-18(24)17(15)12-19(32)20-14-25-23(33-20)28-21-13-22(27-16(2)26-21)30-8-6-29(7-9-30)10-11-31;1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28;1-14-9-17-20(11-21(14)29-12-15-5-7-28(2)8-6-15)25-13-26-22(17)27-19-4-3-16(23)10-18(19)24;1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28;1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h8-11,20,22-24H,4-7,12-19,21H2,1-3H3;3-5,13-14,31H,6-12H2,1-2H3,(H,25,26,27,28);3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30);3-4,9-11,13,15H,5-8,12H2,1-2H3,(H,25,26,27);7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28);2-11H,1H3,(H,26,30)(H2,28,29,31);1-6,11,24H,7-10H2/b;;18-10-;;17-12-;;
InChIKeyVRWLAECNSUUIHE-WYKQHZQWSA-N
MW3146.29 g/mol
LogP27.21
Rot. Bonds43

About N-(4-bromo-2-fluorophenyl)-6-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;1-[4-[6-methyl-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanone;3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol

N-(4-bromo-2-fluorophenyl)-6-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;1-[4-[6-methyl-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanone;3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol (PubChem CID 161382283) has the molecular formula C162H180BrCl2F6N31O18S and a molecular weight of 3146.29 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-6-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;1-[4-[6-methyl-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanone;3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-6-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;1-[4-[6-methyl-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanone;3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol
PubChem CID161382283
Molecular FormulaC162H180BrCl2F6N31O18S
Molecular Weight3146.29 g/mol
Exact Mass3142.23
IUPAC NameN-(4-bromo-2-fluorophenyl)-6-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;1-[4-[6-methyl-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanone;3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(O)CN1CCOCC1.Cc1cc2c(N3CCN(C(=O)Cc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1.Cc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1.Cc1nc(Nc2ncc(C(=O)Cc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1.Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1
InChIInChI=1S/C32H43N5O3.C23H27ClN6O2S.C23H27FN4O4.C22H24BrFN4O.C22H27FN4O2.C21H16ClF3N4O3.C19H16N4O3/c1-24(2)40-27-10-8-26(9-11-27)21-31(38)36-15-17-37(18-16-36)32-28-20-25(3)30(22-29(28)33-23-34-32)39-19-7-14-35-12-5-4-6-13-35;1-15-4-3-5-18(24)17(15)12-19(32)20-14-25-23(33-20)28-21-13-22(27-16(2)26-21)30-8-6-29(7-9-30)10-11-31;1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28;1-14-9-17-20(11-21(14)29-12-15-5-7-28(2)8-6-15)25-13-26-22(17)27-19-4-3-16(23)10-18(19)24;1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28;1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h8-11,20,22-24H,4-7,12-19,21H2,1-3H3;3-5,13-14,31H,6-12H2,1-2H3,(H,25,26,27,28);3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30);3-4,9-11,13,15H,5-8,12H2,1-2H3,(H,25,26,27);7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28);2-11H,1H3,(H,26,30)(H2,28,29,31);1-6,11,24H,7-10H2/b;;18-10-;;17-12-;;
InChIKeyVRWLAECNSUUIHE-WYKQHZQWSA-N
XLogP27.21
TPSA576.57 Ų
H-Bond Donors14
H-Bond Acceptors40
Rotatable Bonds43
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003146.29
LogP ≤ 527.21
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(4-bromo-2-fluorophenyl)-6-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;1-[4-[6-methyl-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanone;3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol with MolForge

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Launch Full Analysis

Related Compounds

N-(3-chloro-4-fluorophenyl)-7-methyl-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazol-5-yl]ethanone;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline;methyl (3E)-3-[2-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-1-phenylethylidene]-2-oxo-1H-indole-6-carboxylate
CID 159108800
CID 159981028
CID 159981028
CID 157959428
CID 157959428

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-6-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;1-[4-[6-methyl-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanone;3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-6-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;1-[4-[6-methyl-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanone;3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol (CID 161382283) is N-(4-bromo-2-fluorophenyl)-6-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;1-[4-[6-methyl-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanone;3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-6-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;1-[4-[6-methyl-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanone;3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-6-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;1-[4-[6-methyl-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanone;3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol is CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(O)CN1CCOCC1.Cc1cc2c(N3CCN(C(=O)Cc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1.Cc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1.Cc1nc(Nc2ncc(C(=O)Cc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1.Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-6-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;1-[4-[6-methyl-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanone;3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol?
The InChIKey is VRWLAECNSUUIHE-WYKQHZQWSA-N. The full InChI is InChI=1S/C32H43N5O3.C23H27ClN6O2S.C23H27FN4O4.C22H24BrFN4O.C22H27FN4O2.C21H16ClF3N4O3.C19H16N4O3/c1-24(2)40-27-10-8-26(9-11-27)21-31(38)36-15-17-37(18-16-36)32-28-20-25(3)30(22-29(28)33-23-34-32)39-19-7-14-35-12-5-4-6-13-35;1-15-4-3-5-18(24)17(15)12-19(32)20-14-25-23(33-20)28-21-13-22(27-16(2)26-21)30-8-6-29(7-9-30)10-11-31;1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28;1-14-9-17-20(11-21(14)29-12-15-5-7-28(2)8-6-15)25-13-26-22(17)27-19-4-3-16(23)10-18(19)24;1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28;1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h8-11,20,22-24H,4-7,12-19,21H2,1-3H3;3-5,13-14,31H,6-12H2,1-2H3,(H,25,26,27,28);3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30);3-4,9-11,13,15H,5-8,12H2,1-2H3,(H,25,26,27);7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28);2-11H,1H3,(H,26,30)(H2,28,29,31);1-6,11,24H,7-10H2/b;;18-10-;;17-12-;;.
What are the key properties of N-(4-bromo-2-fluorophenyl)-6-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;1-[4-[6-methyl-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanone;3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol?
N-(4-bromo-2-fluorophenyl)-6-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;1-[4-[6-methyl-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanone;3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol has a molecular weight of 3146.29 g/mol, XLogP of 27.21, 43 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-6-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;1-[4-[6-methyl-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanone;3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol is sourced from PubChem (CID 161382283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).