2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3-fluoro-4-methylphenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine

C103H107BrF10N16S — CID 158889334

About 2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3-fluoro-4-methylphenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine

2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3-fluoro-4-methylphenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 158889334) has the molecular formula C103H107BrF10N16S and a molecular weight of 1871.05 g/mol. Its IUPAC name is 2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3-fluoro-4-methylphenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

• Compound Name: 2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3-fluoro-4-methylphenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
• PubChem CID: 158889334
• Molecular Formula: C103H107BrF10N16S
• Molecular Weight: 1871.05 g/mol
• Exact Mass: 1868.76
• IUPAC Name: 2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3-fluoro-4-methylphenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
• SMILES: Cc1ccc(-c2cccc(-c3nc(NCCCN(C)C)c4cccc(C)c4n3)c2)cc1F.Cc1cccc2c(NCCCN(C)C)nc(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cc(-c4cccs4)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCCN3CCCCC3)nc(-c3cc(Br)cc(C(F)(F)F)c3)nc12
• InChI: InChI=1S/C27H27F3N4.C27H29FN4.C25H25F3N4S.C24H26BrF3N4/c1-18-9-7-12-23-24(18)32-25(33-26(23)31-13-8-14-34(2)3)21-15-20(19-10-5-4-6-11-19)16-22(17-21)27(28,29)30;1-18-12-13-21(17-24(18)28)20-9-6-10-22(16-20)26-30-25-19(2)8-5-11-23(25)27(31-26)29-14-7-15-32(3)4;1-16-7-4-8-20-22(16)30-23(31-24(20)29-10-6-11-32(2)3)18-13-17(21-9-5-12-33-21)14-19(15-18)25(26,27)28;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/h4-7,9-12,15-17H,8,13-14H2,1-3H3,(H,31,32,33);5-6,8-13,16-17H,7,14-15H2,1-4H3,(H,29,30,31);4-5,7-9,12-15H,6,10-11H2,1-3H3,(H,29,30,31);5,7-8,13-15H,2-4,6,9-12H2,1H3,(H,29,30,31)
• InChIKey: JEAIQFRQXWCXRR-UHFFFAOYSA-N
• XLogP: 26.13
• TPSA: 164.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 27
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1871.05
LogP ≤ 5	26.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3-fluoro-4-methylphenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine (CID 158889334) is 2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3-fluoro-4-methylphenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

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

The canonical SMILES for 2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3-fluoro-4-methylphenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine is Cc1ccc(-c2cccc(-c3nc(NCCCN(C)C)c4cccc(C)c4n3)c2)cc1F.Cc1cccc2c(NCCCN(C)C)nc(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cc(-c4cccs4)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCCN3CCCCC3)nc(-c3cc(Br)cc(C(F)(F)F)c3)nc12.

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

The InChIKey is JEAIQFRQXWCXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N4.C27H29FN4.C25H25F3N4S.C24H26BrF3N4/c1-18-9-7-12-23-24(18)32-25(33-26(23)31-13-8-14-34(2)3)21-15-20(19-10-5-4-6-11-19)16-22(17-21)27(28,29)30;1-18-12-13-21(17-24(18)28)20-9-6-10-22(16-20)26-30-25-19(2)8-5-11-23(25)27(31-26)29-14-7-15-32(3)4;1-16-7-4-8-20-22(16)30-23(31-24(20)29-10-6-11-32(2)3)18-13-17(21-9-5-12-33-21)14-19(15-18)25(26,27)28;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/h4-7,9-12,15-17H,8,13-14H2,1-3H3,(H,31,32,33);5-6,8-13,16-17H,7,14-15H2,1-4H3,(H,29,30,31);4-5,7-9,12-15H,6,10-11H2,1-3H3,(H,29,30,31);5,7-8,13-15H,2-4,6,9-12H2,1H3,(H,29,30,31).

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

2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3-fluoro-4-methylphenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 1871.05 g/mol, XLogP of 26.13, 27 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3-fluoro-4-methylphenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 158889334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).