N-[2-[(E)-2-(4-bromophenyl)ethenyl]-7-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine

C113H123BrCl6F6N20 — CID 159513086

About N-[2-[(E)-2-(4-bromophenyl)ethenyl]-7-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine

N-[2-[(E)-2-(4-bromophenyl)ethenyl]-7-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 159513086) has the molecular formula C113H123BrCl6F6N20 and a molecular weight of 2167.98 g/mol. Its IUPAC name is N-[2-[(E)-2-(4-bromophenyl)ethenyl]-7-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

• Compound Name: N-[2-[(E)-2-(4-bromophenyl)ethenyl]-7-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
• PubChem CID: 159513086
• Molecular Formula: C113H123BrCl6F6N20
• Molecular Weight: 2167.98 g/mol
• Exact Mass: 2162.75
• IUPAC Name: N-[2-[(E)-2-(4-bromophenyl)ethenyl]-7-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
• SMILES: CN(C)CCCNc1nc(/C=C/c2ccc(Br)cc2)nc2cc(Cl)ccc12.Cc1cc(/C=C/c2nc(N(C)CCCN(C)C)c3cccc(C(F)(F)F)c3n2)ccc1Cl.Cc1cc(/C=C/c2nc(NCCCN(C)C)c3ccc(Cl)cc3n2)ccc1Cl.Cc1cc(/C=C/c2nc(NCCCN(C)C)c3cccc(C(F)(F)F)c3n2)ccc1Cl.Cc1cc(/C=C/c2nc(NCCCN(C)C)c3cccc(C)c3n2)ccc1Cl
• InChI: InChI=1S/C24H26ClF3N4.C23H24ClF3N4.C23H27ClN4.C22H24Cl2N4.C21H22BrClN4/c1-16-15-17(9-11-20(16)25)10-12-21-29-22-18(7-5-8-19(22)24(26,27)28)23(30-21)32(4)14-6-13-31(2)3;1-15-14-16(8-10-19(15)24)9-11-20-29-21-17(6-4-7-18(21)23(25,26)27)22(30-20)28-12-5-13-31(2)3;1-16-7-5-8-19-22(16)26-21(27-23(19)25-13-6-14-28(3)4)12-10-18-9-11-20(24)17(2)15-18;1-15-13-16(5-9-19(15)24)6-10-21-26-20-14-17(23)7-8-18(20)22(27-21)25-11-4-12-28(2)3;1-27(2)13-3-12-24-21-18-10-9-17(23)14-19(18)25-20(26-21)11-6-15-4-7-16(22)8-5-15/h5,7-12,15H,6,13-14H2,1-4H3;4,6-11,14H,5,12-13H2,1-3H3,(H,28,29,30);5,7-12,15H,6,13-14H2,1-4H3,(H,25,26,27);5-10,13-14H,4,11-12H2,1-3H3,(H,25,26,27);4-11,14H,3,12-13H2,1-2H3,(H,24,25,26)/b12-10+;11-9+;12-10+;10-6+;11-6+
• InChIKey: MAVRFQNQCWWDDY-LWQFWAMISA-N
• XLogP: 29.11
• TPSA: 196.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 35
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2167.98
LogP ≤ 5	29.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-2-(4-bromophenyl)ethenyl]-7-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine?

The IUPAC name of N-[2-[(E)-2-(4-bromophenyl)ethenyl]-7-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine (CID 159513086) is N-[2-[(E)-2-(4-bromophenyl)ethenyl]-7-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine.

What is the SMILES notation for N-[2-[(E)-2-(4-bromophenyl)ethenyl]-7-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine?

The canonical SMILES for N-[2-[(E)-2-(4-bromophenyl)ethenyl]-7-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCNc1nc(/C=C/c2ccc(Br)cc2)nc2cc(Cl)ccc12.Cc1cc(/C=C/c2nc(N(C)CCCN(C)C)c3cccc(C(F)(F)F)c3n2)ccc1Cl.Cc1cc(/C=C/c2nc(NCCCN(C)C)c3ccc(Cl)cc3n2)ccc1Cl.Cc1cc(/C=C/c2nc(NCCCN(C)C)c3cccc(C(F)(F)F)c3n2)ccc1Cl.Cc1cc(/C=C/c2nc(NCCCN(C)C)c3cccc(C)c3n2)ccc1Cl.

What is the InChIKey of N-[2-[(E)-2-(4-bromophenyl)ethenyl]-7-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine?

The InChIKey is MAVRFQNQCWWDDY-LWQFWAMISA-N. The full InChI is InChI=1S/C24H26ClF3N4.C23H24ClF3N4.C23H27ClN4.C22H24Cl2N4.C21H22BrClN4/c1-16-15-17(9-11-20(16)25)10-12-21-29-22-18(7-5-8-19(22)24(26,27)28)23(30-21)32(4)14-6-13-31(2)3;1-15-14-16(8-10-19(15)24)9-11-20-29-21-17(6-4-7-18(21)23(25,26)27)22(30-20)28-12-5-13-31(2)3;1-16-7-5-8-19-22(16)26-21(27-23(19)25-13-6-14-28(3)4)12-10-18-9-11-20(24)17(2)15-18;1-15-13-16(5-9-19(15)24)6-10-21-26-20-14-17(23)7-8-18(20)22(27-21)25-11-4-12-28(2)3;1-27(2)13-3-12-24-21-18-10-9-17(23)14-19(18)25-20(26-21)11-6-15-4-7-16(22)8-5-15/h5,7-12,15H,6,13-14H2,1-4H3;4,6-11,14H,5,12-13H2,1-3H3,(H,28,29,30);5,7-12,15H,6,13-14H2,1-4H3,(H,25,26,27);5-10,13-14H,4,11-12H2,1-3H3,(H,25,26,27);4-11,14H,3,12-13H2,1-2H3,(H,24,25,26)/b12-10+;11-9+;12-10+;10-6+;11-6+.

What are the key properties of N-[2-[(E)-2-(4-bromophenyl)ethenyl]-7-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine?

N-[2-[(E)-2-(4-bromophenyl)ethenyl]-7-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 2167.98 g/mol, XLogP of 29.11, 35 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(E)-2-(4-bromophenyl)ethenyl]-7-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 159513086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).