6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate;N-[5-[8-ethyl-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;hydrazine;2-[4-(2-methoxyethylamino)cyclohexyl]isoindole-1,3-dione;2-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]isoindole-1,3-dione;4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrate

C181H257B3Br3F6IN30O24 — CID 159406224

IUPAC6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate;N-[5-[8-ethyl-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;hydrazine;2-[4-(2-methoxyethylamino)cyclohexyl]isoindole-1,3-dione;2-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]isoindole-1,3-dione;4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrate
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCc1cc(-c2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)nn2C)cc2cnc(NC3CCC(N(C)CCOC)CC3)nc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnc(NC3CCC(N(C)CCOC)CC3)nc12.CCc1cc(Br)cc2cnc(I)nc12.CCc1cc(Br)cc2cnc(NC3CCC(N(C)CCOC)CC3)nc12.COCCN(C(=O)OC(C)(C)C)C1CCC(N2C(=O)c3ccccc3C2=O)CC1.COCCN(C)C1CCC(N)CC1.COCCN(C)C1CCC(N2C(=O)c3ccccc3C2=O)CC1.COCCNC1CCC(N2C(=O)c3ccccc3C2=O)CC1.Cn1nc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1Br.NN.O
InChIInChI=1S/C33H40F3N7O2.C26H41BN4O3.C22H30N2O5.C20H29BrN4O.C18H24N2O3.C17H22N2O3.C13H11BrF3N3O.C12H24B2O4.C10H8BrIN2.C10H22N2O.H4N2.H2O/c1-5-22-17-23(28-19-29(41-43(28)3)39-30(44)16-21-7-6-8-25(15-21)33(34,35)36)18-24-20-37-32(40-31(22)24)38-26-9-11-27(12-10-26)42(2)13-14-45-4;1-8-18-15-20(27-33-25(2,3)26(4,5)34-27)16-19-17-28-24(30-23(18)19)29-21-9-11-22(12-10-21)31(6)13-14-32-7;1-22(2,3)29-21(27)23(13-14-28-4)15-9-11-16(12-10-15)24-19(25)17-7-5-6-8-18(17)20(24)26;1-4-14-11-16(21)12-15-13-22-20(24-19(14)15)23-17-5-7-18(8-6-17)25(2)9-10-26-3;1-19(11-12-23-2)13-7-9-14(10-8-13)20-17(21)15-5-3-4-6-16(15)18(20)22;1-22-11-10-18-12-6-8-13(9-7-12)19-16(20)14-4-2-3-5-15(14)17(19)21;1-20-10(14)7-11(19-20)18-12(21)6-8-3-2-4-9(5-8)13(15,16)17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-6-3-8(11)4-7-5-13-10(12)14-9(6)7;1-12(7-8-13-2)10-5-3-9(11)4-6-10;1-2;/h6-8,15,17-20,26-27H,5,9-14,16H2,1-4H3,(H,37,38,40)(H,39,41,44);15-17,21-22H,8-14H2,1-7H3,(H,28,29,30);5-8,15-16H,9-14H2,1-4H3;11-13,17-18H,4-10H2,1-3H3,(H,22,23,24);3-6,13-14H,7-12H2,1-2H3;2-5,12-13,18H,6-11H2,1H3;2-5,7H,6H2,1H3,(H,18,19,21);1-8H3;3-5H,2H2,1H3;9-10H,3-8,11H2,1-2H3;1-2H2;1H2
InChIKeyRHVNQQGGESFLKR-UHFFFAOYSA-N
MW3750.27 g/mol
LogP29.64
Rot. Bonds50

About 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate;N-[5-[8-ethyl-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;hydrazine;2-[4-(2-methoxyethylamino)cyclohexyl]isoindole-1,3-dione;2-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]isoindole-1,3-dione;4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrate

6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate;N-[5-[8-ethyl-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;hydrazine;2-[4-(2-methoxyethylamino)cyclohexyl]isoindole-1,3-dione;2-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]isoindole-1,3-dione;4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrate (PubChem CID 159406224) has the molecular formula C181H257B3Br3F6IN30O24 and a molecular weight of 3750.27 g/mol. Its IUPAC name is 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate;N-[5-[8-ethyl-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;hydrazine;2-[4-(2-methoxyethylamino)cyclohexyl]isoindole-1,3-dione;2-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]isoindole-1,3-dione;4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrate.

Molecular Properties

Compound Name6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate;N-[5-[8-ethyl-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;hydrazine;2-[4-(2-methoxyethylamino)cyclohexyl]isoindole-1,3-dione;2-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]isoindole-1,3-dione;4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrate
PubChem CID159406224
Molecular FormulaC181H257B3Br3F6IN30O24
Molecular Weight3750.27 g/mol
Exact Mass3745.66
IUPAC Name6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate;N-[5-[8-ethyl-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;hydrazine;2-[4-(2-methoxyethylamino)cyclohexyl]isoindole-1,3-dione;2-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]isoindole-1,3-dione;4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrate
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCc1cc(-c2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)nn2C)cc2cnc(NC3CCC(N(C)CCOC)CC3)nc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnc(NC3CCC(N(C)CCOC)CC3)nc12.CCc1cc(Br)cc2cnc(I)nc12.CCc1cc(Br)cc2cnc(NC3CCC(N(C)CCOC)CC3)nc12.COCCN(C(=O)OC(C)(C)C)C1CCC(N2C(=O)c3ccccc3C2=O)CC1.COCCN(C)C1CCC(N)CC1.COCCN(C)C1CCC(N2C(=O)c3ccccc3C2=O)CC1.COCCNC1CCC(N2C(=O)c3ccccc3C2=O)CC1.Cn1nc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1Br.NN.O
InChIInChI=1S/C33H40F3N7O2.C26H41BN4O3.C22H30N2O5.C20H29BrN4O.C18H24N2O3.C17H22N2O3.C13H11BrF3N3O.C12H24B2O4.C10H8BrIN2.C10H22N2O.H4N2.H2O/c1-5-22-17-23(28-19-29(41-43(28)3)39-30(44)16-21-7-6-8-25(15-21)33(34,35)36)18-24-20-37-32(40-31(22)24)38-26-9-11-27(12-10-26)42(2)13-14-45-4;1-8-18-15-20(27-33-25(2,3)26(4,5)34-27)16-19-17-28-24(30-23(18)19)29-21-9-11-22(12-10-21)31(6)13-14-32-7;1-22(2,3)29-21(27)23(13-14-28-4)15-9-11-16(12-10-15)24-19(25)17-7-5-6-8-18(17)20(24)26;1-4-14-11-16(21)12-15-13-22-20(24-19(14)15)23-17-5-7-18(8-6-17)25(2)9-10-26-3;1-19(11-12-23-2)13-7-9-14(10-8-13)20-17(21)15-5-3-4-6-16(15)18(20)22;1-22-11-10-18-12-6-8-13(9-7-12)19-16(20)14-4-2-3-5-15(14)17(19)21;1-20-10(14)7-11(19-20)18-12(21)6-8-3-2-4-9(5-8)13(15,16)17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-6-3-8(11)4-7-5-13-10(12)14-9(6)7;1-12(7-8-13-2)10-5-3-9(11)4-6-10;1-2;/h6-8,15,17-20,26-27H,5,9-14,16H2,1-4H3,(H,37,38,40)(H,39,41,44);15-17,21-22H,8-14H2,1-7H3,(H,28,29,30);5-8,15-16H,9-14H2,1-4H3;11-13,17-18H,4-10H2,1-3H3,(H,22,23,24);3-6,13-14H,7-12H2,1-2H3;2-5,12-13,18H,6-11H2,1H3;2-5,7H,6H2,1H3,(H,18,19,21);1-8H3;3-5H,2H2,1H3;9-10H,3-8,11H2,1-2H3;1-2H2;1H2
InChIKeyRHVNQQGGESFLKR-UHFFFAOYSA-N
XLogP29.64
TPSA632.51 Ų
H-Bond Donors9
H-Bond Acceptors47
Rotatable Bonds50
Heavy Atoms248
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003750.27
LogP ≤ 529.64
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate;N-[5-[8-ethyl-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;hydrazine;2-[4-(2-methoxyethylamino)cyclohexyl]isoindole-1,3-dione;2-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]isoindole-1,3-dione;4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrate 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

CID 157713922
CID 157713922
CID 157804868
CID 157804868
1-[5-(2-Amino-8-methylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;5-bromo-2-fluoro-3-methylbenzaldehyde;4-bromo-1-fluoro-2-methylbenzene;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;6-bromo-8-methylquinazolin-2-amine;guanidine;8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158708976
CID 159054099
CID 159054099
6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;methanol;4-methylcyclohexan-1-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;N,N,4-trimethylcyclohexan-1-amine
CID 159204153
2-[3-acetyl-7-(1-fluoroethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(3S,5R)-2-[2-[3-acetyl-7-(1-fluoroethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-[3-acetyl-5-bromo-7-(1-fluoroethyl)indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-7-(1-fluoroethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 2-[5-bromo-7-(1-fluoroethyl)-3-iodoindazol-1-yl]acetate;(2-methylpyrimidin-5-yl)boronic acid;tributyl(1-ethoxyethenyl)stannane;2,2,2-trifluoroacetaldehyde
CID 159644501
1-(5-Bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;tert-butyl 4-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[6-[1-methyl-3-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]pyrazol-5-yl]quinazolin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]piperidine-1-carboxylate;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[1-methyl-5-[2-(piperidin-4-ylamino)quinazolin-6-yl]pyrazol-3-yl]urea;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159677990
magnesium;5-bromo-3-ethyl-2-fluorobenzaldehyde;4-bromo-2-ethyl-1-fluorobenzene;6-bromo-8-ethyl-2-iodoquinazoline;6-bromo-8-ethylquinazolin-2-amine;5-bromo-2-fluorobenzaldehyde;1-(5-bromo-2-fluorophenyl)ethanol;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;carbanide;guanidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide
CID 160040486
CID 161476857
CID 161476857
2-(4-aminocyclohexyl)isoindole-1,3-dione;6-bromo-8-ethyl-2-iodoquinazoline;6-bromo-8-ethyl-N-[4-(3-methoxypropyl)cyclohexyl]quinazolin-2-amine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-(4-aminocyclohexyl)-N-(2-methoxyethyl)carbamate;tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate;tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl carbonochloridate;ethyl 1,3-dioxoisoindole-2-carboxylate;8-ethyl-N-[4-(3-methoxypropyl)cyclohexyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine;hydrazine;isoindole-1,3-dione;methane;2-[4-(2-methoxyethylamino)cyclohexyl]isoindole-1,3-dione;4-methylcyclohexan-1-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,2-trimethoxyethane;hydrate
CID 161527761
CID 157276790
CID 157276790
CID 157321284
CID 157321284

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate;N-[5-[8-ethyl-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;hydrazine;2-[4-(2-methoxyethylamino)cyclohexyl]isoindole-1,3-dione;2-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]isoindole-1,3-dione;4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrate?
The IUPAC name of 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate;N-[5-[8-ethyl-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;hydrazine;2-[4-(2-methoxyethylamino)cyclohexyl]isoindole-1,3-dione;2-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]isoindole-1,3-dione;4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrate (CID 159406224) is 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate;N-[5-[8-ethyl-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;hydrazine;2-[4-(2-methoxyethylamino)cyclohexyl]isoindole-1,3-dione;2-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]isoindole-1,3-dione;4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrate.
What is the SMILES notation for 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate;N-[5-[8-ethyl-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;hydrazine;2-[4-(2-methoxyethylamino)cyclohexyl]isoindole-1,3-dione;2-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]isoindole-1,3-dione;4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrate?
The canonical SMILES for 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate;N-[5-[8-ethyl-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;hydrazine;2-[4-(2-methoxyethylamino)cyclohexyl]isoindole-1,3-dione;2-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]isoindole-1,3-dione;4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrate is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCc1cc(-c2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)nn2C)cc2cnc(NC3CCC(N(C)CCOC)CC3)nc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnc(NC3CCC(N(C)CCOC)CC3)nc12.CCc1cc(Br)cc2cnc(I)nc12.CCc1cc(Br)cc2cnc(NC3CCC(N(C)CCOC)CC3)nc12.COCCN(C(=O)OC(C)(C)C)C1CCC(N2C(=O)c3ccccc3C2=O)CC1.COCCN(C)C1CCC(N)CC1.COCCN(C)C1CCC(N2C(=O)c3ccccc3C2=O)CC1.COCCNC1CCC(N2C(=O)c3ccccc3C2=O)CC1.Cn1nc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1Br.NN.O.
What is the InChIKey of 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate;N-[5-[8-ethyl-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;hydrazine;2-[4-(2-methoxyethylamino)cyclohexyl]isoindole-1,3-dione;2-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]isoindole-1,3-dione;4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrate?
The InChIKey is RHVNQQGGESFLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40F3N7O2.C26H41BN4O3.C22H30N2O5.C20H29BrN4O.C18H24N2O3.C17H22N2O3.C13H11BrF3N3O.C12H24B2O4.C10H8BrIN2.C10H22N2O.H4N2.H2O/c1-5-22-17-23(28-19-29(41-43(28)3)39-30(44)16-21-7-6-8-25(15-21)33(34,35)36)18-24-20-37-32(40-31(22)24)38-26-9-11-27(12-10-26)42(2)13-14-45-4;1-8-18-15-20(27-33-25(2,3)26(4,5)34-27)16-19-17-28-24(30-23(18)19)29-21-9-11-22(12-10-21)31(6)13-14-32-7;1-22(2,3)29-21(27)23(13-14-28-4)15-9-11-16(12-10-15)24-19(25)17-7-5-6-8-18(17)20(24)26;1-4-14-11-16(21)12-15-13-22-20(24-19(14)15)23-17-5-7-18(8-6-17)25(2)9-10-26-3;1-19(11-12-23-2)13-7-9-14(10-8-13)20-17(21)15-5-3-4-6-16(15)18(20)22;1-22-11-10-18-12-6-8-13(9-7-12)19-16(20)14-4-2-3-5-15(14)17(19)21;1-20-10(14)7-11(19-20)18-12(21)6-8-3-2-4-9(5-8)13(15,16)17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-6-3-8(11)4-7-5-13-10(12)14-9(6)7;1-12(7-8-13-2)10-5-3-9(11)4-6-10;1-2;/h6-8,15,17-20,26-27H,5,9-14,16H2,1-4H3,(H,37,38,40)(H,39,41,44);15-17,21-22H,8-14H2,1-7H3,(H,28,29,30);5-8,15-16H,9-14H2,1-4H3;11-13,17-18H,4-10H2,1-3H3,(H,22,23,24);3-6,13-14H,7-12H2,1-2H3;2-5,12-13,18H,6-11H2,1H3;2-5,7H,6H2,1H3,(H,18,19,21);1-8H3;3-5H,2H2,1H3;9-10H,3-8,11H2,1-2H3;1-2H2;1H2.
What are the key properties of 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate;N-[5-[8-ethyl-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;hydrazine;2-[4-(2-methoxyethylamino)cyclohexyl]isoindole-1,3-dione;2-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]isoindole-1,3-dione;4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrate?
6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate;N-[5-[8-ethyl-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;hydrazine;2-[4-(2-methoxyethylamino)cyclohexyl]isoindole-1,3-dione;2-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]isoindole-1,3-dione;4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrate has a molecular weight of 3750.27 g/mol, XLogP of 29.64, 50 rotatable bonds, 9 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate;N-[5-[8-ethyl-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;hydrazine;2-[4-(2-methoxyethylamino)cyclohexyl]isoindole-1,3-dione;2-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]isoindole-1,3-dione;4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrate is sourced from PubChem (CID 159406224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).