1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrazin-2-yl]-3-phenylurea;1-[6-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-3-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-(3-fluorophenyl)urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylurea;1-[5-[2-(6,7-dimethoxyquinazolin-4-yl)oxyethyl]-1,3-thiazol-2-yl]-3-phenylurea

C183H185FN52O25S4 — CID 157137267

IUPAC1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrazin-2-yl]-3-phenylurea;1-[6-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-3-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-(3-fluorophenyl)urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylurea;1-[5-[2-(6,7-dimethoxyquinazolin-4-yl)oxyethyl]-1,3-thiazol-2-yl]-3-phenylurea
SMILESCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)cn3)c2cc1OC.COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4cccc(F)c4)s3)c2cc1OC.COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4ccccc4)cn3)c2cc1OC.COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4ccccc4)nc3)c2cc1OC.COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4ccccc4CN(C)C)s3)c2cc1OC.COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4cccnc4)s3)c2cc1OC.COc1cc2ncnc(NCCc3ncc(NC(=O)Nc4ccccc4)cn3)c2cc1OC.COc1cc2ncnc(OCCc3cnc(NC(=O)Nc4ccccc4)s3)c2cc1OC
InChIInChI=1S/C25H29N7O3S.C24H24N6O3.3C23H23N7O3.C22H21FN6O3S.C22H21N5O4S.C21H21N7O3S/c1-32(2)14-16-7-5-6-8-19(16)30-24(33)31-25-27-13-17(36-25)9-10-26-23-18-11-21(34-3)22(35-4)12-20(18)28-15-29-23;1-32-21-12-19-20(13-22(21)33-2)27-15-28-23(19)25-11-10-16-8-9-18(14-26-16)30-24(31)29-17-6-4-3-5-7-17;1-32-19-10-17-18(11-20(19)33-2)27-14-28-21(17)24-9-8-15-12-25-22(26-13-15)30-23(31)29-16-6-4-3-5-7-16;1-32-19-10-17-18(11-20(19)33-2)27-14-28-22(17)24-9-8-21-25-12-16(13-26-21)30-23(31)29-15-6-4-3-5-7-15;1-32-19-10-17-18(11-20(19)33-2)27-14-28-22(17)24-9-8-16-12-26-21(13-25-16)30-23(31)29-15-6-4-3-5-7-15;1-31-18-9-16-17(10-19(18)32-2)26-12-27-20(16)24-7-6-15-11-25-22(33-15)29-21(30)28-14-5-3-4-13(23)8-14;1-29-18-10-16-17(11-19(18)30-2)24-13-25-20(16)31-9-8-15-12-23-22(32-15)27-21(28)26-14-6-4-3-5-7-14;1-30-17-8-15-16(9-18(17)31-2)25-12-26-19(15)23-7-5-14-11-24-21(32-14)28-20(29)27-13-4-3-6-22-10-13/h5-8,11-13,15H,9-10,14H2,1-4H3,(H,26,28,29)(H2,27,30,31,33);3-9,12-15H,10-11H2,1-2H3,(H,25,27,28)(H2,29,30,31);3-7,10-14H,8-9H2,1-2H3,(H,24,27,28)(H2,25,26,29,30,31);3-7,10-14H,8-9H2,1-2H3,(H,24,27,28)(H2,29,30,31);3-7,10-14H,8-9H2,1-2H3,(H,24,27,28)(H2,26,29,30,31);3-5,8-12H,6-7H2,1-2H3,(H,24,26,27)(H2,25,28,29,30);3-7,10-13H,8-9H2,1-2H3,(H2,23,26,27,28);3-4,6,8-12H,5,7H2,1-2H3,(H,23,25,26)(H2,24,27,28,29)
InChIKeyAJTNURPFILJZFP-UHFFFAOYSA-N
MW3660.10 g/mol
LogP32.72
Rot. Bonds66

About 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrazin-2-yl]-3-phenylurea;1-[6-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-3-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-(3-fluorophenyl)urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylurea;1-[5-[2-(6,7-dimethoxyquinazolin-4-yl)oxyethyl]-1,3-thiazol-2-yl]-3-phenylurea

1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrazin-2-yl]-3-phenylurea;1-[6-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-3-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-(3-fluorophenyl)urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylurea;1-[5-[2-(6,7-dimethoxyquinazolin-4-yl)oxyethyl]-1,3-thiazol-2-yl]-3-phenylurea (PubChem CID 157137267) has the molecular formula C183H185FN52O25S4 and a molecular weight of 3660.10 g/mol. Its IUPAC name is 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrazin-2-yl]-3-phenylurea;1-[6-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-3-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-(3-fluorophenyl)urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylurea;1-[5-[2-(6,7-dimethoxyquinazolin-4-yl)oxyethyl]-1,3-thiazol-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrazin-2-yl]-3-phenylurea;1-[6-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-3-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-(3-fluorophenyl)urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylurea;1-[5-[2-(6,7-dimethoxyquinazolin-4-yl)oxyethyl]-1,3-thiazol-2-yl]-3-phenylurea
PubChem CID157137267
Molecular FormulaC183H185FN52O25S4
Molecular Weight3660.10 g/mol
Exact Mass3657.37
IUPAC Name1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrazin-2-yl]-3-phenylurea;1-[6-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-3-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-(3-fluorophenyl)urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylurea;1-[5-[2-(6,7-dimethoxyquinazolin-4-yl)oxyethyl]-1,3-thiazol-2-yl]-3-phenylurea
SMILESCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)cn3)c2cc1OC.COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4cccc(F)c4)s3)c2cc1OC.COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4ccccc4)cn3)c2cc1OC.COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4ccccc4)nc3)c2cc1OC.COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4ccccc4CN(C)C)s3)c2cc1OC.COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4cccnc4)s3)c2cc1OC.COc1cc2ncnc(NCCc3ncc(NC(=O)Nc4ccccc4)cn3)c2cc1OC.COc1cc2ncnc(OCCc3cnc(NC(=O)Nc4ccccc4)s3)c2cc1OC
InChIInChI=1S/C25H29N7O3S.C24H24N6O3.3C23H23N7O3.C22H21FN6O3S.C22H21N5O4S.C21H21N7O3S/c1-32(2)14-16-7-5-6-8-19(16)30-24(33)31-25-27-13-17(36-25)9-10-26-23-18-11-21(34-3)22(35-4)12-20(18)28-15-29-23;1-32-21-12-19-20(13-22(21)33-2)27-15-28-23(19)25-11-10-16-8-9-18(14-26-16)30-24(31)29-17-6-4-3-5-7-17;1-32-19-10-17-18(11-20(19)33-2)27-14-28-21(17)24-9-8-15-12-25-22(26-13-15)30-23(31)29-16-6-4-3-5-7-16;1-32-19-10-17-18(11-20(19)33-2)27-14-28-22(17)24-9-8-21-25-12-16(13-26-21)30-23(31)29-15-6-4-3-5-7-15;1-32-19-10-17-18(11-20(19)33-2)27-14-28-22(17)24-9-8-16-12-26-21(13-25-16)30-23(31)29-15-6-4-3-5-7-15;1-31-18-9-16-17(10-19(18)32-2)26-12-27-20(16)24-7-6-15-11-25-22(33-15)29-21(30)28-14-5-3-4-13(23)8-14;1-29-18-10-16-17(11-19(18)30-2)24-13-25-20(16)31-9-8-15-12-23-22(32-15)27-21(28)26-14-6-4-3-5-7-14;1-30-17-8-15-16(9-18(17)31-2)25-12-26-19(15)23-7-5-14-11-24-21(32-14)28-20(29)27-13-4-3-6-22-10-13/h5-8,11-13,15H,9-10,14H2,1-4H3,(H,26,28,29)(H2,27,30,31,33);3-9,12-15H,10-11H2,1-2H3,(H,25,27,28)(H2,29,30,31);3-7,10-14H,8-9H2,1-2H3,(H,24,27,28)(H2,25,26,29,30,31);3-7,10-14H,8-9H2,1-2H3,(H,24,27,28)(H2,29,30,31);3-7,10-14H,8-9H2,1-2H3,(H,24,27,28)(H2,26,29,30,31);3-5,8-12H,6-7H2,1-2H3,(H,24,26,27)(H2,25,28,29,30);3-7,10-13H,8-9H2,1-2H3,(H2,23,26,27,28);3-4,6,8-12H,5,7H2,1-2H3,(H,23,25,26)(H2,24,27,28,29)
InChIKeyAJTNURPFILJZFP-UHFFFAOYSA-N
XLogP32.72
TPSA934.32 Ų
H-Bond Donors23
H-Bond Acceptors65
Rotatable Bonds66
Heavy Atoms265
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003660.10
LogP ≤ 532.72
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1065

Analyze 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrazin-2-yl]-3-phenylurea;1-[6-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-3-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-(3-fluorophenyl)urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylurea;1-[5-[2-(6,7-dimethoxyquinazolin-4-yl)oxyethyl]-1,3-thiazol-2-yl]-3-phenylurea with MolForge

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Related Compounds

Tris[3-[[1-[3-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-4-yl]methyl]-2,2,4,4-tetramethylpentan-3-yl] phosphate
CID 87769162
Bis[2-[2-tert-butyl-4-[3-[4-[[5-[2-(3,5-difluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperazin-1-yl]ethyl] hydrogen phosphate
CID 87785371
Bis[2-[2-tert-butyl-4-[2-[4-[[5-[2-(2,3-difluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]ethyl] hydrogen phosphate
CID 87785502
Tris[2-[ethyl-[3-[4-[[5-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]amino]ethyl] phosphate
CID 87997308
Tris[2-[1-[3-[4-[[5-[2-(2,4-difluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-2-yl]ethyl] phosphate
CID 87997311
Tris[1-[3-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]pyrrolidin-3-yl] phosphate
CID 87997317
Tris[2-[3-[4-[[5-[2-(2,3-difluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl-methylamino]ethyl] phosphate
CID 87997363
Tris[2-[3-[4-[[5-[2-(2,3-difluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl-ethylamino]ethyl] phosphate
CID 87997452
Tris[2-[4-[3-[4-[[5-[2-(2,3-difluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperazin-1-yl]ethyl] phosphate
CID 87997668
Tris[2-[3-[4-[[5-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl-ethylamino]ethyl] phosphate
CID 87997722
Tris[[1-[3-[4-[[5-[2-(2,3-difluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-4-yl]methyl] phosphate
CID 88005599
4-N-[4-(2-aminobenzimidazol-1-yl)pyrimidin-2-yl]-2-N-methyl-2-N-phenyl-1,3-thiazole-2,4-diamine;4-[3-(2-aminoethyl)indol-1-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;4-(3-ethylindol-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;1-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]benzimidazol-2-amine;4-(2-methylsulfanylbenzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;N-[4-[2-(pyridin-3-ylamino)benzimidazol-1-yl]pyrimidin-2-yl]quinolin-6-amine
CID 157653224

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrazin-2-yl]-3-phenylurea;1-[6-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-3-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-(3-fluorophenyl)urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylurea;1-[5-[2-(6,7-dimethoxyquinazolin-4-yl)oxyethyl]-1,3-thiazol-2-yl]-3-phenylurea?
The IUPAC name of 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrazin-2-yl]-3-phenylurea;1-[6-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-3-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-(3-fluorophenyl)urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylurea;1-[5-[2-(6,7-dimethoxyquinazolin-4-yl)oxyethyl]-1,3-thiazol-2-yl]-3-phenylurea (CID 157137267) is 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrazin-2-yl]-3-phenylurea;1-[6-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-3-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-(3-fluorophenyl)urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylurea;1-[5-[2-(6,7-dimethoxyquinazolin-4-yl)oxyethyl]-1,3-thiazol-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrazin-2-yl]-3-phenylurea;1-[6-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-3-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-(3-fluorophenyl)urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylurea;1-[5-[2-(6,7-dimethoxyquinazolin-4-yl)oxyethyl]-1,3-thiazol-2-yl]-3-phenylurea?
The canonical SMILES for 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrazin-2-yl]-3-phenylurea;1-[6-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-3-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-(3-fluorophenyl)urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylurea;1-[5-[2-(6,7-dimethoxyquinazolin-4-yl)oxyethyl]-1,3-thiazol-2-yl]-3-phenylurea is COc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)cn3)c2cc1OC.COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4cccc(F)c4)s3)c2cc1OC.COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4ccccc4)cn3)c2cc1OC.COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4ccccc4)nc3)c2cc1OC.COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4ccccc4CN(C)C)s3)c2cc1OC.COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4cccnc4)s3)c2cc1OC.COc1cc2ncnc(NCCc3ncc(NC(=O)Nc4ccccc4)cn3)c2cc1OC.COc1cc2ncnc(OCCc3cnc(NC(=O)Nc4ccccc4)s3)c2cc1OC.
What is the InChIKey of 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrazin-2-yl]-3-phenylurea;1-[6-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-3-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-(3-fluorophenyl)urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylurea;1-[5-[2-(6,7-dimethoxyquinazolin-4-yl)oxyethyl]-1,3-thiazol-2-yl]-3-phenylurea?
The InChIKey is AJTNURPFILJZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3S.C24H24N6O3.3C23H23N7O3.C22H21FN6O3S.C22H21N5O4S.C21H21N7O3S/c1-32(2)14-16-7-5-6-8-19(16)30-24(33)31-25-27-13-17(36-25)9-10-26-23-18-11-21(34-3)22(35-4)12-20(18)28-15-29-23;1-32-21-12-19-20(13-22(21)33-2)27-15-28-23(19)25-11-10-16-8-9-18(14-26-16)30-24(31)29-17-6-4-3-5-7-17;1-32-19-10-17-18(11-20(19)33-2)27-14-28-21(17)24-9-8-15-12-25-22(26-13-15)30-23(31)29-16-6-4-3-5-7-16;1-32-19-10-17-18(11-20(19)33-2)27-14-28-22(17)24-9-8-21-25-12-16(13-26-21)30-23(31)29-15-6-4-3-5-7-15;1-32-19-10-17-18(11-20(19)33-2)27-14-28-22(17)24-9-8-16-12-26-21(13-25-16)30-23(31)29-15-6-4-3-5-7-15;1-31-18-9-16-17(10-19(18)32-2)26-12-27-20(16)24-7-6-15-11-25-22(33-15)29-21(30)28-14-5-3-4-13(23)8-14;1-29-18-10-16-17(11-19(18)30-2)24-13-25-20(16)31-9-8-15-12-23-22(32-15)27-21(28)26-14-6-4-3-5-7-14;1-30-17-8-15-16(9-18(17)31-2)25-12-26-19(15)23-7-5-14-11-24-21(32-14)28-20(29)27-13-4-3-6-22-10-13/h5-8,11-13,15H,9-10,14H2,1-4H3,(H,26,28,29)(H2,27,30,31,33);3-9,12-15H,10-11H2,1-2H3,(H,25,27,28)(H2,29,30,31);3-7,10-14H,8-9H2,1-2H3,(H,24,27,28)(H2,25,26,29,30,31);3-7,10-14H,8-9H2,1-2H3,(H,24,27,28)(H2,29,30,31);3-7,10-14H,8-9H2,1-2H3,(H,24,27,28)(H2,26,29,30,31);3-5,8-12H,6-7H2,1-2H3,(H,24,26,27)(H2,25,28,29,30);3-7,10-13H,8-9H2,1-2H3,(H2,23,26,27,28);3-4,6,8-12H,5,7H2,1-2H3,(H,23,25,26)(H2,24,27,28,29).
What are the key properties of 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrazin-2-yl]-3-phenylurea;1-[6-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-3-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-(3-fluorophenyl)urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylurea;1-[5-[2-(6,7-dimethoxyquinazolin-4-yl)oxyethyl]-1,3-thiazol-2-yl]-3-phenylurea?
1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrazin-2-yl]-3-phenylurea;1-[6-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-3-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-(3-fluorophenyl)urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylurea;1-[5-[2-(6,7-dimethoxyquinazolin-4-yl)oxyethyl]-1,3-thiazol-2-yl]-3-phenylurea has a molecular weight of 3660.10 g/mol, XLogP of 32.72, 66 rotatable bonds, 23 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrazin-2-yl]-3-phenylurea;1-[6-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-3-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-(3-fluorophenyl)urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylurea;1-[5-[2-(6,7-dimethoxyquinazolin-4-yl)oxyethyl]-1,3-thiazol-2-yl]-3-phenylurea is sourced from PubChem (CID 157137267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).