N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-7-phenylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-phenyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyrimidin-5-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine

C156H151Br2F18N27 — CID 161164722

About N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-7-phenylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-phenyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyrimidin-5-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine

N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-7-phenylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-phenyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyrimidin-5-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine (PubChem CID 161164722) has the molecular formula C156H151Br2F18N27 and a molecular weight of 2905.88 g/mol. Its IUPAC name is N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-7-phenylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-phenyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyrimidin-5-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine.

Molecular Properties

• Compound Name: N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-7-phenylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-phenyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyrimidin-5-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine
• PubChem CID: 161164722
• Molecular Formula: C156H151Br2F18N27
• Molecular Weight: 2905.88 g/mol
• Exact Mass: 2902.07
• IUPAC Name: N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-7-phenylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-phenyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyrimidin-5-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine
• SMILES: Cc1c(-c2ccccc2)ccc2c(NCCCN(C)C)nc(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12.Cc1c(-c2ccccc2)ccc2c(NCCCN(C)C)nc(-c3cc(Br)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cc(-c4ccccn4)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cc(-c4cncnc4)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCCN)nc(-c3cc(Br)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCN(C)C)nc(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12
• InChI: InChI=1S/C33H31F3N4.C27H26BrF3N4.C26H26F3N5.C26H25F3N4.C25H25F3N6.C19H18BrF3N4/c1-22-28(24-13-8-5-9-14-24)15-16-29-30(22)38-31(39-32(29)37-17-10-18-40(2)3)26-19-25(23-11-6-4-7-12-23)20-27(21-26)33(34,35)36;1-17-22(18-8-5-4-6-9-18)10-11-23-24(17)33-25(34-26(23)32-12-7-13-35(2)3)19-14-20(27(29,30)31)16-21(28)15-19;1-17-8-6-9-21-23(17)32-24(33-25(21)31-12-7-13-34(2)3)19-14-18(22-10-4-5-11-30-22)15-20(16-19)26(27,28)29;1-17-8-7-11-22-23(17)31-24(32-25(22)30-12-13-33(2)3)20-14-19(18-9-5-4-6-10-18)15-21(16-20)26(27,28)29;1-16-6-4-7-21-22(16)32-23(33-24(21)31-8-5-9-34(2)3)18-10-17(19-13-29-15-30-14-19)11-20(12-18)25(26,27)28;1-11-4-2-5-15-16(11)26-17(27-18(15)25-7-3-6-24)12-8-13(19(21,22)23)10-14(20)9-12/h4-9,11-16,19-21H,10,17-18H2,1-3H3,(H,37,38,39);4-6,8-11,14-16H,7,12-13H2,1-3H3,(H,32,33,34);4-6,8-11,14-16H,7,12-13H2,1-3H3,(H,31,32,33);4-11,14-16H,12-13H2,1-3H3,(H,30,31,32);4,6-7,10-15H,5,8-9H2,1-3H3,(H,31,32,33);2,4-5,8-10H,3,6-7,24H2,1H3,(H,25,26,27)
• InChIKey: UQJKXCNJQRFZGO-UHFFFAOYSA-N
• XLogP: 38.64
• TPSA: 307.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 40
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2905.88
LogP ≤ 5	38.64
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-7-phenylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-phenyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyrimidin-5-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine?

The IUPAC name of N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-7-phenylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-phenyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyrimidin-5-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine (CID 161164722) is N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-7-phenylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-phenyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyrimidin-5-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine.

What is the SMILES notation for N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-7-phenylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-phenyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyrimidin-5-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine?

The canonical SMILES for N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-7-phenylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-phenyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyrimidin-5-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine is Cc1c(-c2ccccc2)ccc2c(NCCCN(C)C)nc(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12.Cc1c(-c2ccccc2)ccc2c(NCCCN(C)C)nc(-c3cc(Br)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cc(-c4ccccn4)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cc(-c4cncnc4)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCCN)nc(-c3cc(Br)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCN(C)C)nc(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12.

What is the InChIKey of N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-7-phenylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-phenyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyrimidin-5-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine?

The InChIKey is UQJKXCNJQRFZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F3N4.C27H26BrF3N4.C26H26F3N5.C26H25F3N4.C25H25F3N6.C19H18BrF3N4/c1-22-28(24-13-8-5-9-14-24)15-16-29-30(22)38-31(39-32(29)37-17-10-18-40(2)3)26-19-25(23-11-6-4-7-12-23)20-27(21-26)33(34,35)36;1-17-22(18-8-5-4-6-9-18)10-11-23-24(17)33-25(34-26(23)32-12-7-13-35(2)3)19-14-20(27(29,30)31)16-21(28)15-19;1-17-8-6-9-21-23(17)32-24(33-25(21)31-12-7-13-34(2)3)19-14-18(22-10-4-5-11-30-22)15-20(16-19)26(27,28)29;1-17-8-7-11-22-23(17)31-24(32-25(22)30-12-13-33(2)3)20-14-19(18-9-5-4-6-10-18)15-21(16-20)26(27,28)29;1-16-6-4-7-21-22(16)32-23(33-24(21)31-8-5-9-34(2)3)18-10-17(19-13-29-15-30-14-19)11-20(12-18)25(26,27)28;1-11-4-2-5-15-16(11)26-17(27-18(15)25-7-3-6-24)12-8-13(19(21,22)23)10-14(20)9-12/h4-9,11-16,19-21H,10,17-18H2,1-3H3,(H,37,38,39);4-6,8-11,14-16H,7,12-13H2,1-3H3,(H,32,33,34);4-6,8-11,14-16H,7,12-13H2,1-3H3,(H,31,32,33);4-11,14-16H,12-13H2,1-3H3,(H,30,31,32);4,6-7,10-15H,5,8-9H2,1-3H3,(H,31,32,33);2,4-5,8-10H,3,6-7,24H2,1H3,(H,25,26,27).

What are the key properties of N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-7-phenylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-phenyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyrimidin-5-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine?

N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-7-phenylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-phenyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyrimidin-5-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine has a molecular weight of 2905.88 g/mol, XLogP of 38.64, 40 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-7-phenylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-phenyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyrimidin-5-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 161164722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).