N-[8-chloro-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine

C99H105ClF12N16 — CID 157424843

About N-[8-chloro-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine

N-[8-chloro-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine (PubChem CID 157424843) has the molecular formula C99H105ClF12N16 and a molecular weight of 1782.47 g/mol. Its IUPAC name is N-[8-chloro-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine.

Molecular Properties

• Compound Name: N-[8-chloro-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine
• PubChem CID: 157424843
• Molecular Formula: C99H105ClF12N16
• Molecular Weight: 1782.47 g/mol
• Exact Mass: 1780.82
• IUPAC Name: N-[8-chloro-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine
• SMILES: CN(C)CCCNc1nc(-c2cc(-c3ccccc3)cc(C(F)(F)F)c2)nc2c(Cl)cccc12.Cc1cc(-c2cccc(-c3nc(NCCCN(C)C)c4cccc(C)c4n3)c2)cc(C(F)(F)F)c1.Cc1cc(-c2nc(N(C)CCCN(C)C)c3cccc(C)c3n2)cc(C(F)(F)F)c1.Cc1cc(-c2nc(NCCCN(C)C)c3cccc(C)c3n2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C28H29F3N4.C26H24ClF3N4.C23H27F3N4.C22H25F3N4/c1-18-14-22(17-23(15-18)28(29,30)31)20-9-6-10-21(16-20)26-33-25-19(2)8-5-11-24(25)27(34-26)32-12-7-13-35(3)4;1-34(2)13-7-12-31-25-21-10-6-11-22(27)23(21)32-24(33-25)19-14-18(17-8-4-3-5-9-17)15-20(16-19)26(28,29)30;1-15-12-17(14-18(13-15)23(24,25)26)21-27-20-16(2)8-6-9-19(20)22(28-21)30(5)11-7-10-29(3)4;1-14-11-16(13-17(12-14)22(23,24)25)20-27-19-15(2)7-5-8-18(19)21(28-20)26-9-6-10-29(3)4/h5-6,8-11,14-17H,7,12-13H2,1-4H3,(H,32,33,34);3-6,8-11,14-16H,7,12-13H2,1-2H3,(H,31,32,33);6,8-9,12-14H,7,10-11H2,1-5H3;5,7-8,11-13H,6,9-10H2,1-4H3,(H,26,27,28)
• InChIKey: BPVLHROIYAGRMN-UHFFFAOYSA-N
• XLogP: 24.58
• TPSA: 155.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 26
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1782.47
LogP ≤ 5	24.58
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-[8-chloro-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine?

The IUPAC name of N-[8-chloro-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine (CID 157424843) is N-[8-chloro-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine.

What is the SMILES notation for N-[8-chloro-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine?

The canonical SMILES for N-[8-chloro-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine is CN(C)CCCNc1nc(-c2cc(-c3ccccc3)cc(C(F)(F)F)c2)nc2c(Cl)cccc12.Cc1cc(-c2cccc(-c3nc(NCCCN(C)C)c4cccc(C)c4n3)c2)cc(C(F)(F)F)c1.Cc1cc(-c2nc(N(C)CCCN(C)C)c3cccc(C)c3n2)cc(C(F)(F)F)c1.Cc1cc(-c2nc(NCCCN(C)C)c3cccc(C)c3n2)cc(C(F)(F)F)c1.

What is the InChIKey of N-[8-chloro-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine?

The InChIKey is BPVLHROIYAGRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N4.C26H24ClF3N4.C23H27F3N4.C22H25F3N4/c1-18-14-22(17-23(15-18)28(29,30)31)20-9-6-10-21(16-20)26-33-25-19(2)8-5-11-24(25)27(34-26)32-12-7-13-35(3)4;1-34(2)13-7-12-31-25-21-10-6-11-22(27)23(21)32-24(33-25)19-14-18(17-8-4-3-5-9-17)15-20(16-19)26(28,29)30;1-15-12-17(14-18(13-15)23(24,25)26)21-27-20-16(2)8-6-9-19(20)22(28-21)30(5)11-7-10-29(3)4;1-14-11-16(13-17(12-14)22(23,24)25)20-27-19-15(2)7-5-8-18(19)21(28-20)26-9-6-10-29(3)4/h5-6,8-11,14-17H,7,12-13H2,1-4H3,(H,32,33,34);3-6,8-11,14-16H,7,12-13H2,1-2H3,(H,31,32,33);6,8-9,12-14H,7,10-11H2,1-5H3;5,7-8,11-13H,6,9-10H2,1-4H3,(H,26,27,28).

What are the key properties of N-[8-chloro-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine?

N-[8-chloro-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine has a molecular weight of 1782.47 g/mol, XLogP of 24.58, 26 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-chloro-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 157424843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).