N-[6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]quinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine

C139H146Br6F19N25 — CID 158032247

About N-[6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]quinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine

N-[6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]quinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 158032247) has the molecular formula C139H146Br6F19N25 and a molecular weight of 3007.26 g/mol. Its IUPAC name is N-[6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]quinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

• Compound Name: N-[6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]quinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
• PubChem CID: 158032247
• Molecular Formula: C139H146Br6F19N25
• Molecular Weight: 3007.26 g/mol
• Exact Mass: 2999.70
• IUPAC Name: N-[6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]quinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
• SMILES: CCN(CC)CCCNc1nc(-c2cc(Br)cc(C(F)(F)F)c2)nc2c(C)cccc12.CN(C)CCCNc1nc(-c2cc(Br)cc(C(F)(F)F)c2)nc2ccc(Br)cc12.Cc1ccc2nc(-c3cc(Br)cc(C(F)(F)F)c3)nc(NCCCN(C)C)c2c1.Cc1cccc2c(NCCCN(C)C)nc(-c3ccc(-c4cc(F)cc(C(F)(F)F)c4)cc3)nc12.Cc1cccc2c(NCCCN3CCCCC3)nc(-c3cc(Br)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCCN3CCN(C)CC3)nc(-c3cc(Br)cc(C(F)(F)F)c3)nc12
• InChI: InChI=1S/C27H26F4N4.C24H27BrF3N5.C24H26BrF3N4.C23H26BrF3N4.C21H22BrF3N4.C20H19Br2F3N4/c1-17-6-4-7-23-24(17)33-25(34-26(23)32-12-5-13-35(2)3)19-10-8-18(9-11-19)20-14-21(27(29,30)31)16-22(28)15-20;1-16-5-3-6-20-21(16)30-22(17-13-18(24(26,27)28)15-19(25)14-17)31-23(20)29-7-4-8-33-11-9-32(2)10-12-33;1-16-7-5-8-20-21(16)30-22(17-13-18(24(26,27)28)15-19(25)14-17)31-23(20)29-9-6-12-32-10-3-2-4-11-32;1-4-31(5-2)11-7-10-28-22-19-9-6-8-15(3)20(19)29-21(30-22)16-12-17(23(25,26)27)14-18(24)13-16;1-13-5-6-18-17(9-13)20(26-7-4-8-29(2)3)28-19(27-18)14-10-15(21(23,24)25)12-16(22)11-14;1-29(2)7-3-6-26-19-16-11-14(21)4-5-17(16)27-18(28-19)12-8-13(20(23,24)25)10-15(22)9-12/h4,6-11,14-16H,5,12-13H2,1-3H3,(H,32,33,34);3,5-6,13-15H,4,7-12H2,1-2H3,(H,29,30,31);5,7-8,13-15H,2-4,6,9-12H2,1H3,(H,29,30,31);6,8-9,12-14H,4-5,7,10-11H2,1-3H3,(H,28,29,30);5-6,9-12H,4,7-8H2,1-3H3,(H,26,27,28);4-5,8-11H,3,6-7H2,1-2H3,(H,26,27,28)
• InChIKey: FHHYLIXMULJGRZ-UHFFFAOYSA-N
• XLogP: 37.39
• TPSA: 249.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 39
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3007.26
LogP ≤ 5	37.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]quinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?

The IUPAC name of N-[6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]quinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine (CID 158032247) is N-[6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]quinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

What is the SMILES notation for N-[6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]quinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?

The canonical SMILES for N-[6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]quinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine is CCN(CC)CCCNc1nc(-c2cc(Br)cc(C(F)(F)F)c2)nc2c(C)cccc12.CN(C)CCCNc1nc(-c2cc(Br)cc(C(F)(F)F)c2)nc2ccc(Br)cc12.Cc1ccc2nc(-c3cc(Br)cc(C(F)(F)F)c3)nc(NCCCN(C)C)c2c1.Cc1cccc2c(NCCCN(C)C)nc(-c3ccc(-c4cc(F)cc(C(F)(F)F)c4)cc3)nc12.Cc1cccc2c(NCCCN3CCCCC3)nc(-c3cc(Br)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCCN3CCN(C)CC3)nc(-c3cc(Br)cc(C(F)(F)F)c3)nc12.

What is the InChIKey of N-[6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]quinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?

The InChIKey is FHHYLIXMULJGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F4N4.C24H27BrF3N5.C24H26BrF3N4.C23H26BrF3N4.C21H22BrF3N4.C20H19Br2F3N4/c1-17-6-4-7-23-24(17)33-25(34-26(23)32-12-5-13-35(2)3)19-10-8-18(9-11-19)20-14-21(27(29,30)31)16-22(28)15-20;1-16-5-3-6-20-21(16)30-22(17-13-18(24(26,27)28)15-19(25)14-17)31-23(20)29-7-4-8-33-11-9-32(2)10-12-33;1-16-7-5-8-20-21(16)30-22(17-13-18(24(26,27)28)15-19(25)14-17)31-23(20)29-9-6-12-32-10-3-2-4-11-32;1-4-31(5-2)11-7-10-28-22-19-9-6-8-15(3)20(19)29-21(30-22)16-12-17(23(25,26)27)14-18(24)13-16;1-13-5-6-18-17(9-13)20(26-7-4-8-29(2)3)28-19(27-18)14-10-15(21(23,24)25)12-16(22)11-14;1-29(2)7-3-6-26-19-16-11-14(21)4-5-17(16)27-18(28-19)12-8-13(20(23,24)25)10-15(22)9-12/h4,6-11,14-16H,5,12-13H2,1-3H3,(H,32,33,34);3,5-6,13-15H,4,7-12H2,1-2H3,(H,29,30,31);5,7-8,13-15H,2-4,6,9-12H2,1H3,(H,29,30,31);6,8-9,12-14H,4-5,7,10-11H2,1-3H3,(H,28,29,30);5-6,9-12H,4,7-8H2,1-3H3,(H,26,27,28);4-5,8-11H,3,6-7H2,1-2H3,(H,26,27,28).

What are the key properties of N-[6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]quinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?

N-[6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]quinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 3007.26 g/mol, XLogP of 37.39, 39 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]quinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 158032247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).