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

C141H161Cl7F6N24 — CID 161056339

About N-[7-chloro-2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-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;4-N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-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 161056339) has the molecular formula C141H161Cl7F6N24 and a molecular weight of 2554.17 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;4-N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-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;4-N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-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: 161056339
• Molecular Formula: C141H161Cl7F6N24
• Molecular Weight: 2554.17 g/mol
• Exact Mass: 2549.11
• IUPAC Name: N-[7-chloro-2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-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: CCN(CC)CCCC(C)Nc1nc(/C=C/c2ccc(C)c(Cl)c2)nc2c(C)cccc12.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/C27H35ClN4.C24H26ClF3N4.C23H24ClF3N4.C23H27ClN4.C22H24Cl2N4.C22H25ClN4/c1-6-32(7-2)17-9-11-21(5)29-27-23-12-8-10-20(4)26(23)30-25(31-27)16-15-22-14-13-19(3)24(28)18-22;1-16-9-10-17(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/h8,10,12-16,18,21H,6-7,9,11,17H2,1-5H3,(H,29,30,31);5,7-12,15H,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)/b16-15+;12-11+;11-10+;12-11+;10-7+;12-9+
• InChIKey: UCUNLTIRMJDSMB-DZGMALOKSA-N
• XLogP: 35.64
• TPSA: 237.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 45
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2554.17
LogP ≤ 5	35.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

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;4-N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-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;4-N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-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 161056339) is N-[7-chloro-2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-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;4-N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-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;4-N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-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 CCN(CC)CCCC(C)Nc1nc(/C=C/c2ccc(C)c(Cl)c2)nc2c(C)cccc12.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;4-N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-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 UCUNLTIRMJDSMB-DZGMALOKSA-N. The full InChI is InChI=1S/C27H35ClN4.C24H26ClF3N4.C23H24ClF3N4.C23H27ClN4.C22H24Cl2N4.C22H25ClN4/c1-6-32(7-2)17-9-11-21(5)29-27-23-12-8-10-20(4)26(23)30-25(31-27)16-15-22-14-13-19(3)24(28)18-22;1-16-9-10-17(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/h8,10,12-16,18,21H,6-7,9,11,17H2,1-5H3,(H,29,30,31);5,7-12,15H,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)/b16-15+;12-11+;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;4-N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-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;4-N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-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 2554.17 g/mol, XLogP of 35.64, 45 rotatable bonds, 5 hydrogen bond donors, and 24 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;4-N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-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 161056339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).