N'-[2-[4-chloro-3-[(4-chlorophenyl)methyl]-3H-inden-1-yl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;4-N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine

C152H160Cl2F18N20 — CID 159566369

About N'-[2-[4-chloro-3-[(4-chlorophenyl)methyl]-3H-inden-1-yl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;4-N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine

N'-[2-[4-chloro-3-[(4-chlorophenyl)methyl]-3H-inden-1-yl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;4-N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine (PubChem CID 159566369) has the molecular formula C152H160Cl2F18N20 and a molecular weight of 2679.96 g/mol. Its IUPAC name is N'-[2-[4-chloro-3-[(4-chlorophenyl)methyl]-3H-inden-1-yl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;4-N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine.

Molecular Properties

• Compound Name: N'-[2-[4-chloro-3-[(4-chlorophenyl)methyl]-3H-inden-1-yl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;4-N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine
• PubChem CID: 159566369
• Molecular Formula: C152H160Cl2F18N20
• Molecular Weight: 2679.96 g/mol
• Exact Mass: 2677.22
• IUPAC Name: N'-[2-[4-chloro-3-[(4-chlorophenyl)methyl]-3H-inden-1-yl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;4-N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine
• SMILES: CCN(CC)CCCC(C)Nc1nc(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(C(F)(F)F)c2)nc2c(C)cccc12.CCN(CC)CCCC(C)Nc1nc(-c2cc(-c3ccc(C)c(C)c3)cc(C(F)(F)F)c2)nc2c(C)cccc12.Cc1cccc2c(N(C)CCCN(C)C)nc(-c3cccc(-c4cccc(C(F)(F)F)c4)c3)nc12.Cc1cccc2c(N(C)CCCN(C)C)nc(C3=CC(Cc4ccc(Cl)cc4)c4c(Cl)cccc43)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cc(-c4ccc(C(F)(F)F)cc4)cc(C(F)(F)F)c3)nc12
• InChI: InChI=1S/C33H39F3N4.C32H34F6N4.C31H32Cl2N4.C28H26F6N4.C28H29F3N4/c1-7-40(8-2)16-10-12-24(6)37-32-29-13-9-11-22(4)30(29)38-31(39-32)27-18-26(19-28(20-27)33(34,35)36)25-15-14-21(3)23(5)17-25;1-5-42(6-2)16-8-10-21(4)39-30-27-11-7-9-20(3)28(27)40-29(41-30)24-17-23(18-26(19-24)32(36,37)38)22-12-14-25(15-13-22)31(33,34)35;1-20-8-5-10-25-29(20)34-30(35-31(25)37(4)17-7-16-36(2)3)26-19-22(18-21-12-14-23(32)15-13-21)28-24(26)9-6-11-27(28)33;1-17-6-4-7-23-24(17)36-25(37-26(23)35-12-5-13-38(2)3)20-14-19(15-22(16-20)28(32,33)34)18-8-10-21(11-9-18)27(29,30)31;1-19-9-5-14-24-25(19)32-26(33-27(24)35(4)16-8-15-34(2)3)22-12-6-10-20(17-22)21-11-7-13-23(18-21)28(29,30)31/h9,11,13-15,17-20,24H,7-8,10,12,16H2,1-6H3,(H,37,38,39);7,9,11-15,17-19,21H,5-6,8,10,16H2,1-4H3,(H,39,40,41);5-6,8-15,19,22H,7,16-18H2,1-4H3;4,6-11,14-16H,5,12-13H2,1-3H3,(H,35,36,37);5-7,9-14,17-18H,8,15-16H2,1-4H3
• InChIKey: MHGDBSQFALIFOF-UHFFFAOYSA-N
• XLogP: 39.82
• TPSA: 187.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 42
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2679.96
LogP ≤ 5	39.82
H-Bond Donors ≤ 5	3
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-[4-chloro-3-[(4-chlorophenyl)methyl]-3H-inden-1-yl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;4-N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine?

The IUPAC name of N'-[2-[4-chloro-3-[(4-chlorophenyl)methyl]-3H-inden-1-yl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;4-N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine (CID 159566369) is N'-[2-[4-chloro-3-[(4-chlorophenyl)methyl]-3H-inden-1-yl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;4-N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine.

What is the SMILES notation for N'-[2-[4-chloro-3-[(4-chlorophenyl)methyl]-3H-inden-1-yl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;4-N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine?

The canonical SMILES for N'-[2-[4-chloro-3-[(4-chlorophenyl)methyl]-3H-inden-1-yl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;4-N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine is CCN(CC)CCCC(C)Nc1nc(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(C(F)(F)F)c2)nc2c(C)cccc12.CCN(CC)CCCC(C)Nc1nc(-c2cc(-c3ccc(C)c(C)c3)cc(C(F)(F)F)c2)nc2c(C)cccc12.Cc1cccc2c(N(C)CCCN(C)C)nc(-c3cccc(-c4cccc(C(F)(F)F)c4)c3)nc12.Cc1cccc2c(N(C)CCCN(C)C)nc(C3=CC(Cc4ccc(Cl)cc4)c4c(Cl)cccc43)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cc(-c4ccc(C(F)(F)F)cc4)cc(C(F)(F)F)c3)nc12.

What is the InChIKey of N'-[2-[4-chloro-3-[(4-chlorophenyl)methyl]-3H-inden-1-yl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;4-N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine?

The InChIKey is MHGDBSQFALIFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39F3N4.C32H34F6N4.C31H32Cl2N4.C28H26F6N4.C28H29F3N4/c1-7-40(8-2)16-10-12-24(6)37-32-29-13-9-11-22(4)30(29)38-31(39-32)27-18-26(19-28(20-27)33(34,35)36)25-15-14-21(3)23(5)17-25;1-5-42(6-2)16-8-10-21(4)39-30-27-11-7-9-20(3)28(27)40-29(41-30)24-17-23(18-26(19-24)32(36,37)38)22-12-14-25(15-13-22)31(33,34)35;1-20-8-5-10-25-29(20)34-30(35-31(25)37(4)17-7-16-36(2)3)26-19-22(18-21-12-14-23(32)15-13-21)28-24(26)9-6-11-27(28)33;1-17-6-4-7-23-24(17)36-25(37-26(23)35-12-5-13-38(2)3)20-14-19(15-22(16-20)28(32,33)34)18-8-10-21(11-9-18)27(29,30)31;1-19-9-5-14-24-25(19)32-26(33-27(24)35(4)16-8-15-34(2)3)22-12-6-10-20(17-22)21-11-7-13-23(18-21)28(29,30)31/h9,11,13-15,17-20,24H,7-8,10,12,16H2,1-6H3,(H,37,38,39);7,9,11-15,17-19,21H,5-6,8,10,16H2,1-4H3,(H,39,40,41);5-6,8-15,19,22H,7,16-18H2,1-4H3;4,6-11,14-16H,5,12-13H2,1-3H3,(H,35,36,37);5-7,9-14,17-18H,8,15-16H2,1-4H3.

What are the key properties of N'-[2-[4-chloro-3-[(4-chlorophenyl)methyl]-3H-inden-1-yl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;4-N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine?

N'-[2-[4-chloro-3-[(4-chlorophenyl)methyl]-3H-inden-1-yl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;4-N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine has a molecular weight of 2679.96 g/mol, XLogP of 39.82, 42 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-[4-chloro-3-[(4-chlorophenyl)methyl]-3H-inden-1-yl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine;4-N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N,N,N'-trimethyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 159566369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).