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

C114H126Cl6F6N20 — CID 160518820

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

N-[7-chloro-2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 160518820) has the molecular formula C114H126Cl6F6N20 and a molecular weight of 2103.11 g/mol. Its IUPAC name is N-[7-chloro-2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

• Compound Name: N-[7-chloro-2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
• PubChem CID: 160518820
• Molecular Formula: C114H126Cl6F6N20
• Molecular Weight: 2103.11 g/mol
• Exact Mass: 2098.85
• IUPAC Name: N-[7-chloro-2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
• SMILES: Cc1ccc(/C=C/c2nc(N(C)CCCN(C)C)c3cccc(C(F)(F)F)c3n2)cc1Cl.Cc1ccc(/C=C/c2nc(NCCCN(C)C)c3ccc(Cl)cc3n2)cc1.Cc1ccc(/C=C/c2nc(NCCCN(C)C)c3ccc(Cl)cc3n2)cc1Cl.Cc1ccc(/C=C/c2nc(NCCCN(C)C)c3cccc(C(F)(F)F)c3n2)cc1Cl.Cc1ccc(/C=C/c2nc(NCCCN(C)C)c3cccc(C)c3n2)cc1Cl
• InChI: InChI=1S/C24H26ClF3N4.C23H24ClF3N4.C23H27ClN4.C22H24Cl2N4.C22H25ClN4/c1-16-9-10-17(15-20(16)25)11-12-21-29-22-18(7-5-8-19(22)24(26,27)28)23(30-21)32(4)14-6-13-31(2)3;1-15-8-9-16(14-19(15)24)10-11-20-29-21-17(6-4-7-18(21)23(25,26)27)22(30-20)28-12-5-13-31(2)3;1-16-9-10-18(15-20(16)24)11-12-21-26-22-17(2)7-5-8-19(22)23(27-21)25-13-6-14-28(3)4;1-15-5-6-16(13-19(15)24)7-10-21-26-20-14-17(23)8-9-18(20)22(27-21)25-11-4-12-28(2)3;1-16-5-7-17(8-6-16)9-12-21-25-20-15-18(23)10-11-19(20)22(26-21)24-13-4-14-27(2)3/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);5-12,15H,4,13-14H2,1-3H3,(H,24,25,26)/b12-11+;11-10+;12-11+;10-7+;12-9+
• InChIKey: QTZSOZFIEHQIBA-CDYRRUNLSA-N
• XLogP: 28.65
• 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	2103.11
LogP ≤ 5	28.65
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-[7-chloro-2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine?

The IUPAC name of N-[7-chloro-2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine (CID 160518820) is N-[7-chloro-2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine.

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

The canonical SMILES for N-[7-chloro-2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine is Cc1ccc(/C=C/c2nc(N(C)CCCN(C)C)c3cccc(C(F)(F)F)c3n2)cc1Cl.Cc1ccc(/C=C/c2nc(NCCCN(C)C)c3ccc(Cl)cc3n2)cc1.Cc1ccc(/C=C/c2nc(NCCCN(C)C)c3ccc(Cl)cc3n2)cc1Cl.Cc1ccc(/C=C/c2nc(NCCCN(C)C)c3cccc(C(F)(F)F)c3n2)cc1Cl.Cc1ccc(/C=C/c2nc(NCCCN(C)C)c3cccc(C)c3n2)cc1Cl.

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

The InChIKey is QTZSOZFIEHQIBA-CDYRRUNLSA-N. The full InChI is InChI=1S/C24H26ClF3N4.C23H24ClF3N4.C23H27ClN4.C22H24Cl2N4.C22H25ClN4/c1-16-9-10-17(15-20(16)25)11-12-21-29-22-18(7-5-8-19(22)24(26,27)28)23(30-21)32(4)14-6-13-31(2)3;1-15-8-9-16(14-19(15)24)10-11-20-29-21-17(6-4-7-18(21)23(25,26)27)22(30-20)28-12-5-13-31(2)3;1-16-9-10-18(15-20(16)24)11-12-21-26-22-17(2)7-5-8-19(22)23(27-21)25-13-6-14-28(3)4;1-15-5-6-16(13-19(15)24)7-10-21-26-20-14-17(23)8-9-18(20)22(27-21)25-11-4-12-28(2)3;1-16-5-7-17(8-6-16)9-12-21-25-20-15-18(23)10-11-19(20)22(26-21)24-13-4-14-27(2)3/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);5-12,15H,4,13-14H2,1-3H3,(H,24,25,26)/b12-11+;11-10+;12-11+;10-7+;12-9+.

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

N-[7-chloro-2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 2103.11 g/mol, XLogP of 28.65, 35 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-chloro-2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 160518820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).