N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[8-chloro-2-[3-(2-chlorophenyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[8-chloro-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;methane

C98H105BrCl3F9N16 — CID 159264220

About N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[8-chloro-2-[3-(2-chlorophenyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[8-chloro-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;methane

N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[8-chloro-2-[3-(2-chlorophenyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[8-chloro-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;methane (PubChem CID 159264220) has the molecular formula C98H105BrCl3F9N16 and a molecular weight of 1864.27 g/mol. Its IUPAC name is N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[8-chloro-2-[3-(2-chlorophenyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[8-chloro-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;methane.

Molecular Properties

• Compound Name: N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[8-chloro-2-[3-(2-chlorophenyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[8-chloro-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;methane
• PubChem CID: 159264220
• Molecular Formula: C98H105BrCl3F9N16
• Molecular Weight: 1864.27 g/mol
• Exact Mass: 1860.68
• IUPAC Name: N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[8-chloro-2-[3-(2-chlorophenyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[8-chloro-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;methane
• SMILES: C.CCN(CC)CCCNc1nc(-c2cc(Br)cc(C(F)(F)F)c2)nc2c(C)cccc12.CN(C)CCCNc1nc(-c2cccc(-c3ccccc3Cl)c2)nc2c(Cl)cccc12.Cc1cc(-c2cccc(-c3nc(N(C)CCCN(C)C)c4cccc(Cl)c4n3)c2)cc(C(F)(F)F)c1.Cc1cc(-c2nc(NCCN(C)C)c3cccc(C)c3n2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C28H28ClF3N4.C25H24Cl2N4.C23H26BrF3N4.C21H23F3N4.CH4/c1-18-14-21(17-22(15-18)28(30,31)32)19-8-5-9-20(16-19)26-33-25-23(10-6-11-24(25)29)27(34-26)36(4)13-7-12-35(2)3;1-31(2)15-7-14-28-25-20-11-6-13-22(27)23(20)29-24(30-25)18-9-5-8-17(16-18)19-10-3-4-12-21(19)26;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;1-13-10-15(12-16(11-13)21(22,23)24)19-26-18-14(2)6-5-7-17(18)20(27-19)25-8-9-28(3)4;/h5-6,8-11,14-17H,7,12-13H2,1-4H3;3-6,8-13,16H,7,14-15H2,1-2H3,(H,28,29,30);6,8-9,12-14H,4-5,7,10-11H2,1-3H3,(H,28,29,30);5-7,10-12H,8-9H2,1-4H3,(H,25,26,27);1H4
• InChIKey: KWWWVYIPNXPXMZ-UHFFFAOYSA-N
• XLogP: 26.04
• TPSA: 155.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 27
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1864.27
LogP ≤ 5	26.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

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-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[8-chloro-2-[3-(2-chlorophenyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[8-chloro-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;methane?

The IUPAC name of N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[8-chloro-2-[3-(2-chlorophenyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[8-chloro-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;methane (CID 159264220) is N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[8-chloro-2-[3-(2-chlorophenyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[8-chloro-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;methane.

What is the SMILES notation for N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[8-chloro-2-[3-(2-chlorophenyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[8-chloro-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;methane?

The canonical SMILES for N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[8-chloro-2-[3-(2-chlorophenyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[8-chloro-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;methane is C.CCN(CC)CCCNc1nc(-c2cc(Br)cc(C(F)(F)F)c2)nc2c(C)cccc12.CN(C)CCCNc1nc(-c2cccc(-c3ccccc3Cl)c2)nc2c(Cl)cccc12.Cc1cc(-c2cccc(-c3nc(N(C)CCCN(C)C)c4cccc(Cl)c4n3)c2)cc(C(F)(F)F)c1.Cc1cc(-c2nc(NCCN(C)C)c3cccc(C)c3n2)cc(C(F)(F)F)c1.

What is the InChIKey of N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[8-chloro-2-[3-(2-chlorophenyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[8-chloro-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;methane?

The InChIKey is KWWWVYIPNXPXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClF3N4.C25H24Cl2N4.C23H26BrF3N4.C21H23F3N4.CH4/c1-18-14-21(17-22(15-18)28(30,31)32)19-8-5-9-20(16-19)26-33-25-23(10-6-11-24(25)29)27(34-26)36(4)13-7-12-35(2)3;1-31(2)15-7-14-28-25-20-11-6-13-22(27)23(20)29-24(30-25)18-9-5-8-17(16-18)19-10-3-4-12-21(19)26;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;1-13-10-15(12-16(11-13)21(22,23)24)19-26-18-14(2)6-5-7-17(18)20(27-19)25-8-9-28(3)4;/h5-6,8-11,14-17H,7,12-13H2,1-4H3;3-6,8-13,16H,7,14-15H2,1-2H3,(H,28,29,30);6,8-9,12-14H,4-5,7,10-11H2,1-3H3,(H,28,29,30);5-7,10-12H,8-9H2,1-4H3,(H,25,26,27);1H4.

What are the key properties of N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[8-chloro-2-[3-(2-chlorophenyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[8-chloro-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;methane?

N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[8-chloro-2-[3-(2-chlorophenyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[8-chloro-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;methane has a molecular weight of 1864.27 g/mol, XLogP of 26.04, 27 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[8-chloro-2-[3-(2-chlorophenyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[8-chloro-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;methane is sourced from PubChem (CID 159264220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).