N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine;6,7-dimethyl-N-(7-phenoxy-1H-indol-4-yl)quinazolin-4-amine;N-(2,5-dimethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;N-(2-ethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine

C118H104BrN17O5 — CID 159678767

IUPACN-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine;6,7-dimethyl-N-(7-phenoxy-1H-indol-4-yl)quinazolin-4-amine;N-(2,5-dimethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;N-(2-ethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine
SMILESCCc1cc(Oc2ccccc2)ccc1Nc1ncnc2cc(C)c(C)cc12.Cc1cc2ncnc(Nc3cc(C)c(Oc4ccccc4)cc3C)c2cc1C.Cc1cc2ncnc(Nc3ccc(Oc4ccccc4)c4[nH]ccc34)c2cc1C.Cc1cc2ncnc(Nc3ccc(Oc4ccccc4)c4cc[nH]c34)c2cc1C.Cc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3Br)c2cc1C
InChIInChI=1S/2C24H20N4O.2C24H23N3O.C22H18BrN3O/c1-15-12-19-21(13-16(15)2)26-14-27-24(19)28-20-8-9-22(18-10-11-25-23(18)20)29-17-6-4-3-5-7-17;1-15-12-19-21(13-16(15)2)26-14-27-24(19)28-20-8-9-22(23-18(20)10-11-25-23)29-17-6-4-3-5-7-17;1-15-10-20-22(11-16(15)2)25-14-26-24(20)27-21-12-18(4)23(13-17(21)3)28-19-8-6-5-7-9-19;1-4-18-14-20(28-19-8-6-5-7-9-19)10-11-22(18)27-24-21-12-16(2)17(3)13-23(21)25-15-26-24;1-14-10-18-21(11-15(14)2)24-13-25-22(18)26-20-9-8-17(12-19(20)23)27-16-6-4-3-5-7-16/h2*3-14,25H,1-2H3,(H,26,27,28);5-14H,1-4H3,(H,25,26,27);5-15H,4H2,1-3H3,(H,25,26,27);3-13H,1-2H3,(H,24,25,26)
InChIKeyMUYGJUPRJXCTNN-UHFFFAOYSA-N
MW1920.15 g/mol
LogP31.82
Rot. Bonds21

About N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine;6,7-dimethyl-N-(7-phenoxy-1H-indol-4-yl)quinazolin-4-amine;N-(2,5-dimethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;N-(2-ethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine

N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine;6,7-dimethyl-N-(7-phenoxy-1H-indol-4-yl)quinazolin-4-amine;N-(2,5-dimethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;N-(2-ethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine (PubChem CID 159678767) has the molecular formula C118H104BrN17O5 and a molecular weight of 1920.15 g/mol. Its IUPAC name is N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine;6,7-dimethyl-N-(7-phenoxy-1H-indol-4-yl)quinazolin-4-amine;N-(2,5-dimethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;N-(2-ethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine;6,7-dimethyl-N-(7-phenoxy-1H-indol-4-yl)quinazolin-4-amine;N-(2,5-dimethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;N-(2-ethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine
PubChem CID159678767
Molecular FormulaC118H104BrN17O5
Molecular Weight1920.15 g/mol
Exact Mass1917.76
IUPAC NameN-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine;6,7-dimethyl-N-(7-phenoxy-1H-indol-4-yl)quinazolin-4-amine;N-(2,5-dimethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;N-(2-ethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine
SMILESCCc1cc(Oc2ccccc2)ccc1Nc1ncnc2cc(C)c(C)cc12.Cc1cc2ncnc(Nc3cc(C)c(Oc4ccccc4)cc3C)c2cc1C.Cc1cc2ncnc(Nc3ccc(Oc4ccccc4)c4[nH]ccc34)c2cc1C.Cc1cc2ncnc(Nc3ccc(Oc4ccccc4)c4cc[nH]c34)c2cc1C.Cc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3Br)c2cc1C
InChIInChI=1S/2C24H20N4O.2C24H23N3O.C22H18BrN3O/c1-15-12-19-21(13-16(15)2)26-14-27-24(19)28-20-8-9-22(18-10-11-25-23(18)20)29-17-6-4-3-5-7-17;1-15-12-19-21(13-16(15)2)26-14-27-24(19)28-20-8-9-22(23-18(20)10-11-25-23)29-17-6-4-3-5-7-17;1-15-10-20-22(11-16(15)2)25-14-26-24(20)27-21-12-18(4)23(13-17(21)3)28-19-8-6-5-7-9-19;1-4-18-14-20(28-19-8-6-5-7-9-19)10-11-22(18)27-24-21-12-16(2)17(3)13-23(21)25-15-26-24;1-14-10-18-21(11-15(14)2)24-13-25-22(18)26-20-9-8-17(12-19(20)23)27-16-6-4-3-5-7-16/h2*3-14,25H,1-2H3,(H,26,27,28);5-14H,1-4H3,(H,25,26,27);5-15H,4H2,1-3H3,(H,25,26,27);3-13H,1-2H3,(H,24,25,26)
InChIKeyMUYGJUPRJXCTNN-UHFFFAOYSA-N
XLogP31.82
TPSA266.78 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001920.15
LogP ≤ 531.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine;6,7-dimethyl-N-(7-phenoxy-1H-indol-4-yl)quinazolin-4-amine;N-(2,5-dimethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;N-(2-ethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine with MolForge

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Related Compounds

7-(4-Methyl-3,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,10,14,16-octaen-15-yl)-2-propan-2-yl-1,5-dihydroisochromeno[3,4-e]benzimidazole
CID 67681531
7-(4-Methyl-3,5,8,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7,9,11,14,16-octaen-15-yl)-2-propan-2-yl-1,5-dihydroisochromeno[3,4-e]benzimidazole
CID 67683901
2-Propan-2-yl-7-(4-propan-2-yl-3,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,10,14,16-octaen-15-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole
CID 89934493
2-Propan-2-yl-7-(4-propan-2-yl-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,10,14,16-octaen-15-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole
CID 89934498
2-Propan-2-yl-7-(4-propan-2-yl-3,5,8,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7,9,11,14,16-octaen-15-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole
CID 89934512
2-Propan-2-yl-7-(4-propan-2-yl-3,5,8,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7,9,11,14,16-octaen-15-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole
CID 89934524
2-Methyl-7-(4-methyl-3,5,8,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7,9,11,14,16-octaen-15-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole
CID 118569046
2-Methyl-7-(4-methyl-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,10,14,16-octaen-15-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole
CID 118569139
2-Methyl-7-(4-methyl-3,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,10,14,16-octaen-15-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole
CID 118569273
2-Methyl-7-(4-methyl-3,5,8,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7,9,11,14,16-octaen-15-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole
CID 118569393
2-ethyl-7-[4-[5-[7-(4-propan-2-yl-3,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,10,14,16-octaen-15-yl)-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-2-yl]hexan-2-yl]-3,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,10,14,16-octaen-15-yl]-1,5-dihydroisochromeno[3,4-e]benzimidazole
CID 134269815
2-Ethyl-7-(4-methyl-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,10,14,16-octaen-15-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole
CID 139302109

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine;6,7-dimethyl-N-(7-phenoxy-1H-indol-4-yl)quinazolin-4-amine;N-(2,5-dimethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;N-(2-ethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine?
The IUPAC name of N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine;6,7-dimethyl-N-(7-phenoxy-1H-indol-4-yl)quinazolin-4-amine;N-(2,5-dimethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;N-(2-ethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine (CID 159678767) is N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine;6,7-dimethyl-N-(7-phenoxy-1H-indol-4-yl)quinazolin-4-amine;N-(2,5-dimethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;N-(2-ethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine.
What is the SMILES notation for N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine;6,7-dimethyl-N-(7-phenoxy-1H-indol-4-yl)quinazolin-4-amine;N-(2,5-dimethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;N-(2-ethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine?
The canonical SMILES for N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine;6,7-dimethyl-N-(7-phenoxy-1H-indol-4-yl)quinazolin-4-amine;N-(2,5-dimethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;N-(2-ethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine is CCc1cc(Oc2ccccc2)ccc1Nc1ncnc2cc(C)c(C)cc12.Cc1cc2ncnc(Nc3cc(C)c(Oc4ccccc4)cc3C)c2cc1C.Cc1cc2ncnc(Nc3ccc(Oc4ccccc4)c4[nH]ccc34)c2cc1C.Cc1cc2ncnc(Nc3ccc(Oc4ccccc4)c4cc[nH]c34)c2cc1C.Cc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3Br)c2cc1C.
What is the InChIKey of N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine;6,7-dimethyl-N-(7-phenoxy-1H-indol-4-yl)quinazolin-4-amine;N-(2,5-dimethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;N-(2-ethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine?
The InChIKey is MUYGJUPRJXCTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H20N4O.2C24H23N3O.C22H18BrN3O/c1-15-12-19-21(13-16(15)2)26-14-27-24(19)28-20-8-9-22(18-10-11-25-23(18)20)29-17-6-4-3-5-7-17;1-15-12-19-21(13-16(15)2)26-14-27-24(19)28-20-8-9-22(23-18(20)10-11-25-23)29-17-6-4-3-5-7-17;1-15-10-20-22(11-16(15)2)25-14-26-24(20)27-21-12-18(4)23(13-17(21)3)28-19-8-6-5-7-9-19;1-4-18-14-20(28-19-8-6-5-7-9-19)10-11-22(18)27-24-21-12-16(2)17(3)13-23(21)25-15-26-24;1-14-10-18-21(11-15(14)2)24-13-25-22(18)26-20-9-8-17(12-19(20)23)27-16-6-4-3-5-7-16/h2*3-14,25H,1-2H3,(H,26,27,28);5-14H,1-4H3,(H,25,26,27);5-15H,4H2,1-3H3,(H,25,26,27);3-13H,1-2H3,(H,24,25,26).
What are the key properties of N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine;6,7-dimethyl-N-(7-phenoxy-1H-indol-4-yl)quinazolin-4-amine;N-(2,5-dimethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;N-(2-ethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine?
N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine;6,7-dimethyl-N-(7-phenoxy-1H-indol-4-yl)quinazolin-4-amine;N-(2,5-dimethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;N-(2-ethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine has a molecular weight of 1920.15 g/mol, XLogP of 31.82, 21 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine;6,7-dimethyl-N-(7-phenoxy-1H-indol-4-yl)quinazolin-4-amine;N-(2,5-dimethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;N-(2-ethyl-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine is sourced from PubChem (CID 159678767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).