N-ethyl-6-[4-(7-fluoroquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-6-[4-(7-methoxy-2-methylquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-5-methyl-6-[7-(2-propyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-4-amine;1-[6-fluoro-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;1-[7-methoxy-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;methyl 2-[6-[4-[2-[(dimethylamino)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-yl]acetate

C169H176F2N36O10 — CID 158278882

IUPACN-ethyl-6-[4-(7-fluoroquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-6-[4-(7-methoxy-2-methylquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-5-methyl-6-[7-(2-propyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-4-amine;1-[6-fluoro-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;1-[7-methoxy-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;methyl 2-[6-[4-[2-[(dimethylamino)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-yl]acetate
SMILESCCCc1nc2ccc(-c3ccc4c(c3)CN(c3ncnc(NCC)c3C)CCO4)cc2[nH]1.CCNc1nc2ccc(-c3ccc4c(c3)CN(c3cc(C)nc5cc(OC)ccc35)CCO4)cc2[nH]1.CCNc1nc2ccc(-c3ccc4c(c3)CN(c3ccnc5cc(F)ccc35)CCO4)cc2[nH]1.COC(=O)Cc1nc2ccc(-c3ccc4c(c3)CN(c3nc(CN(C)C)nc5c3CC(C)(C)CC5)CCO4)cc2[nH]1.COc1ccc2c(N3CCOc4ccc(-c5cnc6nc(C)[nH]c6c5)cc4C3)nc(CN(C)C)nc2c1.Cc1nc2ncc(-c3ccc4c(c3)CN(c3nc(CN(C)C)nc5ccc(F)cc35)CCO4)cc2[nH]1
InChIInChI=1S/C32H38N6O3.C29H29N5O2.C28H29N7O2.C27H26FN7O.C27H24FN5O.C26H30N6O/c1-32(2)11-10-24-23(17-32)31(36-29(33-24)19-37(3)4)38-12-13-41-27-9-7-20(14-22(27)18-38)21-6-8-25-26(15-21)35-28(34-25)16-30(39)40-5;1-4-30-29-32-24-9-5-20(15-26(24)33-29)19-6-10-28-21(14-19)17-34(11-12-36-28)27-13-18(2)31-25-16-22(35-3)7-8-23(25)27;1-17-30-24-12-19(14-29-27(24)31-17)18-5-8-25-20(11-18)15-35(9-10-37-25)28-22-7-6-21(36-4)13-23(22)32-26(33-28)16-34(2)3;1-16-30-23-11-18(13-29-26(23)31-16)17-4-7-24-19(10-17)14-35(8-9-36-24)27-21-12-20(28)5-6-22(21)32-25(33-27)15-34(2)3;1-2-29-27-31-22-7-3-18(14-24(22)32-27)17-4-8-26-19(13-17)16-33(11-12-34-26)25-9-10-30-23-15-20(28)5-6-21(23)25;1-4-6-24-30-21-9-7-19(14-22(21)31-24)18-8-10-23-20(13-18)15-32(11-12-33-23)26-17(3)25(27-5-2)28-16-29-26/h6-9,14-15H,10-13,16-19H2,1-5H3,(H,34,35);5-10,13-16H,4,11-12,17H2,1-3H3,(H2,30,32,33);5-8,11-14H,9-10,15-16H2,1-4H3,(H,29,30,31);4-7,10-13H,8-9,14-15H2,1-3H3,(H,29,30,31);3-10,13-15H,2,11-12,16H2,1H3,(H2,29,31,32);7-10,13-14,16H,4-6,11-12,15H2,1-3H3,(H,30,31)(H,27,28,29)
InChIKeyGJYPPUCAQWCGFQ-UHFFFAOYSA-N
MW2909.50 g/mol
LogP30.32
Rot. Bonds30

About N-ethyl-6-[4-(7-fluoroquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-6-[4-(7-methoxy-2-methylquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-5-methyl-6-[7-(2-propyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-4-amine;1-[6-fluoro-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;1-[7-methoxy-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;methyl 2-[6-[4-[2-[(dimethylamino)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-yl]acetate

N-ethyl-6-[4-(7-fluoroquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-6-[4-(7-methoxy-2-methylquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-5-methyl-6-[7-(2-propyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-4-amine;1-[6-fluoro-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;1-[7-methoxy-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;methyl 2-[6-[4-[2-[(dimethylamino)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-yl]acetate (PubChem CID 158278882) has the molecular formula C169H176F2N36O10 and a molecular weight of 2909.50 g/mol. Its IUPAC name is N-ethyl-6-[4-(7-fluoroquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-6-[4-(7-methoxy-2-methylquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-5-methyl-6-[7-(2-propyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-4-amine;1-[6-fluoro-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;1-[7-methoxy-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;methyl 2-[6-[4-[2-[(dimethylamino)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-yl]acetate.

Molecular Properties

Compound NameN-ethyl-6-[4-(7-fluoroquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-6-[4-(7-methoxy-2-methylquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-5-methyl-6-[7-(2-propyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-4-amine;1-[6-fluoro-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;1-[7-methoxy-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;methyl 2-[6-[4-[2-[(dimethylamino)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-yl]acetate
PubChem CID158278882
Molecular FormulaC169H176F2N36O10
Molecular Weight2909.50 g/mol
Exact Mass2907.43
IUPAC NameN-ethyl-6-[4-(7-fluoroquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-6-[4-(7-methoxy-2-methylquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-5-methyl-6-[7-(2-propyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-4-amine;1-[6-fluoro-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;1-[7-methoxy-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;methyl 2-[6-[4-[2-[(dimethylamino)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-yl]acetate
SMILESCCCc1nc2ccc(-c3ccc4c(c3)CN(c3ncnc(NCC)c3C)CCO4)cc2[nH]1.CCNc1nc2ccc(-c3ccc4c(c3)CN(c3cc(C)nc5cc(OC)ccc35)CCO4)cc2[nH]1.CCNc1nc2ccc(-c3ccc4c(c3)CN(c3ccnc5cc(F)ccc35)CCO4)cc2[nH]1.COC(=O)Cc1nc2ccc(-c3ccc4c(c3)CN(c3nc(CN(C)C)nc5c3CC(C)(C)CC5)CCO4)cc2[nH]1.COc1ccc2c(N3CCOc4ccc(-c5cnc6nc(C)[nH]c6c5)cc4C3)nc(CN(C)C)nc2c1.Cc1nc2ncc(-c3ccc4c(c3)CN(c3nc(CN(C)C)nc5ccc(F)cc35)CCO4)cc2[nH]1
InChIInChI=1S/C32H38N6O3.C29H29N5O2.C28H29N7O2.C27H26FN7O.C27H24FN5O.C26H30N6O/c1-32(2)11-10-24-23(17-32)31(36-29(33-24)19-37(3)4)38-12-13-41-27-9-7-20(14-22(27)18-38)21-6-8-25-26(15-21)35-28(34-25)16-30(39)40-5;1-4-30-29-32-24-9-5-20(15-26(24)33-29)19-6-10-28-21(14-19)17-34(11-12-36-28)27-13-18(2)31-25-16-22(35-3)7-8-23(25)27;1-17-30-24-12-19(14-29-27(24)31-17)18-5-8-25-20(11-18)15-35(9-10-37-25)28-22-7-6-21(36-4)13-23(22)32-26(33-28)16-34(2)3;1-16-30-23-11-18(13-29-26(23)31-16)17-4-7-24-19(10-17)14-35(8-9-36-24)27-21-12-20(28)5-6-22(21)32-25(33-27)15-34(2)3;1-2-29-27-31-22-7-3-18(14-24(22)32-27)17-4-8-26-19(13-17)16-33(11-12-34-26)25-9-10-30-23-15-20(28)5-6-21(23)25;1-4-6-24-30-21-9-7-19(14-22(21)31-24)18-8-10-23-20(13-18)15-32(11-12-33-23)26-17(3)25(27-5-2)28-16-29-26/h6-9,14-15H,10-13,16-19H2,1-5H3,(H,34,35);5-10,13-16H,4,11-12,17H2,1-3H3,(H2,30,32,33);5-8,11-14H,9-10,15-16H2,1-4H3,(H,29,30,31);4-7,10-13H,8-9,14-15H2,1-3H3,(H,29,30,31);3-10,13-15H,2,11-12,16H2,1H3,(H2,29,31,32);7-10,13-14,16H,4-6,11-12,15H2,1-3H3,(H,30,31)(H,27,28,29)
InChIKeyGJYPPUCAQWCGFQ-UHFFFAOYSA-N
XLogP30.32
TPSA492.15 Ų
H-Bond Donors9
H-Bond Acceptors40
Rotatable Bonds30
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002909.50
LogP ≤ 530.32
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1040

Analyze N-ethyl-6-[4-(7-fluoroquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-6-[4-(7-methoxy-2-methylquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-5-methyl-6-[7-(2-propyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-4-amine;1-[6-fluoro-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;1-[7-methoxy-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;methyl 2-[6-[4-[2-[(dimethylamino)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-yl]acetate 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

6-[4-[6-[[4-[7-(2-amino-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]methoxy]-7-methoxyquinolin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-imidazo[4,5-b]pyridin-2-amine
CID 91127840
N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;6-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine
CID 158024480
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 159583714
1,3-difluoro-2-methylbenzene;1,5-dimethylpyrrolo[2,3-b]pyridine;2-methoxy-5-methylpyrazine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;6-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-2,3-dihydrofuro[3,2-b]pyridine;5-methyl-1H-indole;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-(trifluoromethyl)pyridine;toluene
CID 164992476
N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide
CID 165028581
N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide
CID 165052409
6-ethyl-1H-benzimidazole;2-ethyl-1,3-difluorobenzene;6-ethyl-2,3-dihydrofuro[3,2-b]pyridine;7-ethyl-2,3-dihydrofuro[3,2-b]pyridine;5-ethyl-1H-indole;2-ethyl-5-methoxypyrazine;5-ethyl-2-methoxypyridine;5-ethyl-1-methylpyrrolo[2,3-b]pyridine;5-ethyl-1H-pyrrolo[2,3-b]pyridine;5-ethyl-2-(trifluoromethyl)pyridine;(3R)-3-phenylbutan-2-one
CID 165079764
7-(3H-benzimidazol-5-yl)-4-pyrimidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine;7-(1H-imidazo[4,5-b]pyridin-6-yl)-4-(7-methoxy-2-methylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 89960568
3-[4-[2-[(cyclobutylamino)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl]-7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-2-yl]-N-[[6,6-dimethyl-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-7,8-dihydro-5H-quinazolin-2-yl]methyl]cyclopentan-1-amine
CID 91246803
4-[9-benzyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 123637067
6-[4-(6,7-dimethoxyquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-imidazo[4,5-b]pyridin-2-amine;ethane;6-[4-[(Z)-4-(ethylideneamino)-3-[(4-fluorophenyl)methyl]pent-3-en-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine
CID 144094721
7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-c]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-piperazin-1-ylchromen-2-one;3-imidazo[1,2-c]pyrimidin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one
CID 157065552

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-(7-fluoroquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-6-[4-(7-methoxy-2-methylquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-5-methyl-6-[7-(2-propyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-4-amine;1-[6-fluoro-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;1-[7-methoxy-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;methyl 2-[6-[4-[2-[(dimethylamino)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-yl]acetate?
The IUPAC name of N-ethyl-6-[4-(7-fluoroquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-6-[4-(7-methoxy-2-methylquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-5-methyl-6-[7-(2-propyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-4-amine;1-[6-fluoro-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;1-[7-methoxy-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;methyl 2-[6-[4-[2-[(dimethylamino)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-yl]acetate (CID 158278882) is N-ethyl-6-[4-(7-fluoroquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-6-[4-(7-methoxy-2-methylquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-5-methyl-6-[7-(2-propyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-4-amine;1-[6-fluoro-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;1-[7-methoxy-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;methyl 2-[6-[4-[2-[(dimethylamino)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-yl]acetate.
What is the SMILES notation for N-ethyl-6-[4-(7-fluoroquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-6-[4-(7-methoxy-2-methylquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-5-methyl-6-[7-(2-propyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-4-amine;1-[6-fluoro-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;1-[7-methoxy-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;methyl 2-[6-[4-[2-[(dimethylamino)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-yl]acetate?
The canonical SMILES for N-ethyl-6-[4-(7-fluoroquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-6-[4-(7-methoxy-2-methylquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-5-methyl-6-[7-(2-propyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-4-amine;1-[6-fluoro-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;1-[7-methoxy-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;methyl 2-[6-[4-[2-[(dimethylamino)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-yl]acetate is CCCc1nc2ccc(-c3ccc4c(c3)CN(c3ncnc(NCC)c3C)CCO4)cc2[nH]1.CCNc1nc2ccc(-c3ccc4c(c3)CN(c3cc(C)nc5cc(OC)ccc35)CCO4)cc2[nH]1.CCNc1nc2ccc(-c3ccc4c(c3)CN(c3ccnc5cc(F)ccc35)CCO4)cc2[nH]1.COC(=O)Cc1nc2ccc(-c3ccc4c(c3)CN(c3nc(CN(C)C)nc5c3CC(C)(C)CC5)CCO4)cc2[nH]1.COc1ccc2c(N3CCOc4ccc(-c5cnc6nc(C)[nH]c6c5)cc4C3)nc(CN(C)C)nc2c1.Cc1nc2ncc(-c3ccc4c(c3)CN(c3nc(CN(C)C)nc5ccc(F)cc35)CCO4)cc2[nH]1.
What is the InChIKey of N-ethyl-6-[4-(7-fluoroquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-6-[4-(7-methoxy-2-methylquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-5-methyl-6-[7-(2-propyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-4-amine;1-[6-fluoro-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;1-[7-methoxy-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;methyl 2-[6-[4-[2-[(dimethylamino)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-yl]acetate?
The InChIKey is GJYPPUCAQWCGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O3.C29H29N5O2.C28H29N7O2.C27H26FN7O.C27H24FN5O.C26H30N6O/c1-32(2)11-10-24-23(17-32)31(36-29(33-24)19-37(3)4)38-12-13-41-27-9-7-20(14-22(27)18-38)21-6-8-25-26(15-21)35-28(34-25)16-30(39)40-5;1-4-30-29-32-24-9-5-20(15-26(24)33-29)19-6-10-28-21(14-19)17-34(11-12-36-28)27-13-18(2)31-25-16-22(35-3)7-8-23(25)27;1-17-30-24-12-19(14-29-27(24)31-17)18-5-8-25-20(11-18)15-35(9-10-37-25)28-22-7-6-21(36-4)13-23(22)32-26(33-28)16-34(2)3;1-16-30-23-11-18(13-29-26(23)31-16)17-4-7-24-19(10-17)14-35(8-9-36-24)27-21-12-20(28)5-6-22(21)32-25(33-27)15-34(2)3;1-2-29-27-31-22-7-3-18(14-24(22)32-27)17-4-8-26-19(13-17)16-33(11-12-34-26)25-9-10-30-23-15-20(28)5-6-21(23)25;1-4-6-24-30-21-9-7-19(14-22(21)31-24)18-8-10-23-20(13-18)15-32(11-12-33-23)26-17(3)25(27-5-2)28-16-29-26/h6-9,14-15H,10-13,16-19H2,1-5H3,(H,34,35);5-10,13-16H,4,11-12,17H2,1-3H3,(H2,30,32,33);5-8,11-14H,9-10,15-16H2,1-4H3,(H,29,30,31);4-7,10-13H,8-9,14-15H2,1-3H3,(H,29,30,31);3-10,13-15H,2,11-12,16H2,1H3,(H2,29,31,32);7-10,13-14,16H,4-6,11-12,15H2,1-3H3,(H,30,31)(H,27,28,29).
What are the key properties of N-ethyl-6-[4-(7-fluoroquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-6-[4-(7-methoxy-2-methylquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-5-methyl-6-[7-(2-propyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-4-amine;1-[6-fluoro-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;1-[7-methoxy-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;methyl 2-[6-[4-[2-[(dimethylamino)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-yl]acetate?
N-ethyl-6-[4-(7-fluoroquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-6-[4-(7-methoxy-2-methylquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-5-methyl-6-[7-(2-propyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-4-amine;1-[6-fluoro-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;1-[7-methoxy-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;methyl 2-[6-[4-[2-[(dimethylamino)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-yl]acetate has a molecular weight of 2909.50 g/mol, XLogP of 30.32, 30 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-(7-fluoroquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-6-[4-(7-methoxy-2-methylquinolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine;N-ethyl-5-methyl-6-[7-(2-propyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-4-amine;1-[6-fluoro-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;1-[7-methoxy-4-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]quinazolin-2-yl]-N,N-dimethylmethanamine;methyl 2-[6-[4-[2-[(dimethylamino)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-yl]acetate is sourced from PubChem (CID 158278882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).