N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-N,4-dimethylpiperazine-1-carboxamide;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]pyrrolidine-1-carboxamide;2-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxypropan-2-ol

C112H112N28O9 — CID 158727446

IUPACN-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-N,4-dimethylpiperazine-1-carboxamide;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]pyrrolidine-1-carboxamide;2-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxypropan-2-ol
SMILESCc1cc(Nc2ncnc3ccc(CC(=O)N4CCN(C)CC4)cc23)ccc1Oc1ccc2c(c1)ncn2C.Cc1cc(Nc2ncnc3ccc(N(C)C(=O)N4CCN(C)CC4)cc23)ccc1Oc1ccn2ccnc2c1.Cc1cc(Nc2ncnc3ccc(NC(=O)N4CCCC4)cc23)ccc1Oc1ccc2c(c1)ncn2C.Cc1cc(Nc2ncnc3ccc(OCC(C)(C)O)cc23)ccc1Oc1ccn2ncnc2c1
InChIInChI=1S/C30H31N7O2.C29H30N8O2.C28H27N7O2.C25H24N6O3/c1-20-14-22(5-9-28(20)39-23-6-8-27-26(17-23)33-19-36(27)3)34-30-24-15-21(4-7-25(24)31-18-32-30)16-29(38)37-12-10-35(2)11-13-37;1-20-16-21(4-7-26(20)39-23-8-10-36-11-9-30-27(36)18-23)33-28-24-17-22(5-6-25(24)31-19-32-28)35(3)29(38)37-14-12-34(2)13-15-37;1-18-13-19(6-10-26(18)37-21-7-9-25-24(15-21)31-17-34(25)2)32-27-22-14-20(5-8-23(22)29-16-30-27)33-28(36)35-11-3-4-12-35;1-16-10-17(4-7-22(16)34-19-8-9-31-23(12-19)27-15-29-31)30-24-20-11-18(33-13-25(2,3)32)5-6-21(20)26-14-28-24/h4-9,14-15,17-19H,10-13,16H2,1-3H3,(H,31,32,34);4-11,16-19H,12-15H2,1-3H3,(H,31,32,33);5-10,13-17H,3-4,11-12H2,1-2H3,(H,33,36)(H,29,30,32);4-12,14-15,32H,13H2,1-3H3,(H,26,28,30)
InChIKeyIKRMDPYHJAFCGC-UHFFFAOYSA-N
MW1994.31 g/mol
LogP20.26
Rot. Bonds23

About N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-N,4-dimethylpiperazine-1-carboxamide;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]pyrrolidine-1-carboxamide;2-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxypropan-2-ol

N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-N,4-dimethylpiperazine-1-carboxamide;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]pyrrolidine-1-carboxamide;2-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxypropan-2-ol (PubChem CID 158727446) has the molecular formula C112H112N28O9 and a molecular weight of 1994.31 g/mol. Its IUPAC name is N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-N,4-dimethylpiperazine-1-carboxamide;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]pyrrolidine-1-carboxamide;2-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxypropan-2-ol.

Molecular Properties

Compound NameN-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-N,4-dimethylpiperazine-1-carboxamide;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]pyrrolidine-1-carboxamide;2-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxypropan-2-ol
PubChem CID158727446
Molecular FormulaC112H112N28O9
Molecular Weight1994.31 g/mol
Exact Mass1992.92
IUPAC NameN-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-N,4-dimethylpiperazine-1-carboxamide;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]pyrrolidine-1-carboxamide;2-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxypropan-2-ol
SMILESCc1cc(Nc2ncnc3ccc(CC(=O)N4CCN(C)CC4)cc23)ccc1Oc1ccc2c(c1)ncn2C.Cc1cc(Nc2ncnc3ccc(N(C)C(=O)N4CCN(C)CC4)cc23)ccc1Oc1ccn2ccnc2c1.Cc1cc(Nc2ncnc3ccc(NC(=O)N4CCCC4)cc23)ccc1Oc1ccc2c(c1)ncn2C.Cc1cc(Nc2ncnc3ccc(OCC(C)(C)O)cc23)ccc1Oc1ccn2ncnc2c1
InChIInChI=1S/C30H31N7O2.C29H30N8O2.C28H27N7O2.C25H24N6O3/c1-20-14-22(5-9-28(20)39-23-6-8-27-26(17-23)33-19-36(27)3)34-30-24-15-21(4-7-25(24)31-18-32-30)16-29(38)37-12-10-35(2)11-13-37;1-20-16-21(4-7-26(20)39-23-8-10-36-11-9-30-27(36)18-23)33-28-24-17-22(5-6-25(24)31-19-32-28)35(3)29(38)37-14-12-34(2)13-15-37;1-18-13-19(6-10-26(18)37-21-7-9-25-24(15-21)31-17-34(25)2)32-27-22-14-20(5-8-23(22)29-16-30-27)33-28(36)35-11-3-4-12-35;1-16-10-17(4-7-22(16)34-19-8-9-31-23(12-19)27-15-29-31)30-24-20-11-18(33-13-25(2,3)32)5-6-21(20)26-14-28-24/h4-9,14-15,17-19H,10-13,16H2,1-3H3,(H,31,32,34);4-11,16-19H,12-15H2,1-3H3,(H,31,32,33);5-10,13-17H,3-4,11-12H2,1-2H3,(H,33,36)(H,29,30,32);4-12,14-15,32H,13H2,1-3H3,(H,26,28,30)
InChIKeyIKRMDPYHJAFCGC-UHFFFAOYSA-N
XLogP20.26
TPSA383.43 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds23
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001994.31
LogP ≤ 520.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-N,4-dimethylpiperazine-1-carboxamide;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]pyrrolidine-1-carboxamide;2-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxypropan-2-ol with MolForge

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Related Compounds

3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-[3-cyclopropyl-1-[7-(1-methylpyrrol-3-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methyl 1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 158056799
4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-phenylbenzamide
CID 158968858
6-[(2,2-difluoro-7-oxa-5-azaspiro[3.4]oct-5-en-6-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-ethyl-3-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]urea;1-ethyl-3-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]urea;(E)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]-3-pyridin-3-ylprop-2-enamide;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]prop-2-enamide;N-[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-pyridinyl]prop-2-enamide
CID 159896097
6-[(2,2-difluoro-7-oxa-5-azaspiro[3.4]oct-5-en-6-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-ethyl-3-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]urea;1-ethyl-3-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]urea;(E)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]-3-pyridin-3-ylprop-2-enamide;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]prop-2-enamide;N-[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-pyridinyl]prop-2-enamide
CID 160886609
N-[(2R)-2-(hydroxymethyl)-2-methyl-6-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-(hydroxymethyl)-2-methyl-6-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-2-methyl-6-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-(hydroxymethyl)-2-methyl-6-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 161172541
6-[(2,2-difluoro-7-oxa-5-azaspiro[3.4]oct-5-en-6-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(1,8-dioxa-3-azaspiro[4.5]dec-2-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-ethyl-3-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]urea;1-ethyl-3-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]urea;(E)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 161483380
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)anilino]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 157061367
N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-ethyl-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[4-ethyl-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindazol-5-yl)pyrimidin-2-yl]amino]-2-[methyl-[2-(propan-2-ylamino)ethyl]amino]phenyl]prop-2-enamide
CID 157078691
(E)-N-cyclopropyl-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enamide;(E)-N,N-dimethyl-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enamide;(E)-1-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-pyrrolidin-2-yl]but-3-en-2-one;(E)-N-(2-hydroxyethyl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enamide;(E)-1-[4-(4-imidazo[1,2-a]pyrimidin-7-yloxy-3-methylanilino)quinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one
CID 157150587
5-[4-(dimethylamino)-3-methylphenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157212683
1-[3-(1H-benzimidazol-4-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[[4-(3-cyclobutylbenzimidazol-5-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(2-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindol-6-yl)-2-pyridinyl]amino]propan-2-ol)
CID 157267917
2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-N-methylacetamide;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone;1-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2-pyridin-2-ylethanone;1-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2-pyridin-3-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylimidazo[1,5-a]pyridin-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylpyrazolo[3,4-b]pyridin-6-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(oxetan-3-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol
CID 157330081

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-N,4-dimethylpiperazine-1-carboxamide;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]pyrrolidine-1-carboxamide;2-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxypropan-2-ol?
The IUPAC name of N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-N,4-dimethylpiperazine-1-carboxamide;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]pyrrolidine-1-carboxamide;2-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxypropan-2-ol (CID 158727446) is N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-N,4-dimethylpiperazine-1-carboxamide;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]pyrrolidine-1-carboxamide;2-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxypropan-2-ol.
What is the SMILES notation for N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-N,4-dimethylpiperazine-1-carboxamide;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]pyrrolidine-1-carboxamide;2-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxypropan-2-ol?
The canonical SMILES for N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-N,4-dimethylpiperazine-1-carboxamide;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]pyrrolidine-1-carboxamide;2-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxypropan-2-ol is Cc1cc(Nc2ncnc3ccc(CC(=O)N4CCN(C)CC4)cc23)ccc1Oc1ccc2c(c1)ncn2C.Cc1cc(Nc2ncnc3ccc(N(C)C(=O)N4CCN(C)CC4)cc23)ccc1Oc1ccn2ccnc2c1.Cc1cc(Nc2ncnc3ccc(NC(=O)N4CCCC4)cc23)ccc1Oc1ccc2c(c1)ncn2C.Cc1cc(Nc2ncnc3ccc(OCC(C)(C)O)cc23)ccc1Oc1ccn2ncnc2c1.
What is the InChIKey of N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-N,4-dimethylpiperazine-1-carboxamide;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]pyrrolidine-1-carboxamide;2-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxypropan-2-ol?
The InChIKey is IKRMDPYHJAFCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O2.C29H30N8O2.C28H27N7O2.C25H24N6O3/c1-20-14-22(5-9-28(20)39-23-6-8-27-26(17-23)33-19-36(27)3)34-30-24-15-21(4-7-25(24)31-18-32-30)16-29(38)37-12-10-35(2)11-13-37;1-20-16-21(4-7-26(20)39-23-8-10-36-11-9-30-27(36)18-23)33-28-24-17-22(5-6-25(24)31-19-32-28)35(3)29(38)37-14-12-34(2)13-15-37;1-18-13-19(6-10-26(18)37-21-7-9-25-24(15-21)31-17-34(25)2)32-27-22-14-20(5-8-23(22)29-16-30-27)33-28(36)35-11-3-4-12-35;1-16-10-17(4-7-22(16)34-19-8-9-31-23(12-19)27-15-29-31)30-24-20-11-18(33-13-25(2,3)32)5-6-21(20)26-14-28-24/h4-9,14-15,17-19H,10-13,16H2,1-3H3,(H,31,32,34);4-11,16-19H,12-15H2,1-3H3,(H,31,32,33);5-10,13-17H,3-4,11-12H2,1-2H3,(H,33,36)(H,29,30,32);4-12,14-15,32H,13H2,1-3H3,(H,26,28,30).
What are the key properties of N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-N,4-dimethylpiperazine-1-carboxamide;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]pyrrolidine-1-carboxamide;2-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxypropan-2-ol?
N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-N,4-dimethylpiperazine-1-carboxamide;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]pyrrolidine-1-carboxamide;2-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxypropan-2-ol has a molecular weight of 1994.31 g/mol, XLogP of 20.26, 23 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-N,4-dimethylpiperazine-1-carboxamide;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]pyrrolidine-1-carboxamide;2-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxypropan-2-ol is sourced from PubChem (CID 158727446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).