4-N-[2-[7-chloro-1-[(3-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine

C151H159Cl2F18N21 — CID 158985532

About 4-N-[2-[7-chloro-1-[(3-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine

4-N-[2-[7-chloro-1-[(3-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine (PubChem CID 158985532) has the molecular formula C151H159Cl2F18N21 and a molecular weight of 2680.95 g/mol. Its IUPAC name is 4-N-[2-[7-chloro-1-[(3-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine.

Molecular Properties

• Compound Name: 4-N-[2-[7-chloro-1-[(3-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine
• PubChem CID: 158985532
• Molecular Formula: C151H159Cl2F18N21
• Molecular Weight: 2680.95 g/mol
• Exact Mass: 2678.22
• IUPAC Name: 4-N-[2-[7-chloro-1-[(3-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine
• SMILES: CCN(CC)CCCC(C)Nc1nc(-c2cc(-c3cccc(C(F)(F)F)c3)cc(C(F)(F)F)c2)nc2c(C)cccc12.CCN(CC)CCCC(C)Nc1nc(-c2cc(-c3ccccc3)cc(C(F)(F)F)c2)nc2c(C)cccc12.CCN(CC)CCCC(C)Nc1nc(-c2cn(Cc3cccc(Cl)c3)c3c(Cl)cccc23)nc2c(C)cccc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cc(-c4cccc(C(F)(F)F)c4)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12
• InChI: InChI=1S/C33H37Cl2N5.C32H34F6N4.C31H35F3N4.C28H26F6N4.C27H27F3N4/c1-5-39(6-2)18-10-12-23(4)36-32-27-16-7-11-22(3)30(27)37-33(38-32)28-21-40(20-24-13-8-14-25(34)19-24)31-26(28)15-9-17-29(31)35;1-5-42(6-2)15-9-11-21(4)39-30-27-14-7-10-20(3)28(27)40-29(41-30)24-16-23(18-26(19-24)32(36,37)38)22-12-8-13-25(17-22)31(33,34)35;1-5-38(6-2)17-11-13-22(4)35-30-27-16-10-12-21(3)28(27)36-29(37-30)25-18-24(23-14-8-7-9-15-23)19-26(20-25)31(32,33)34;1-17-7-4-10-23-24(17)36-25(37-26(23)35-11-6-12-38(2)3)20-13-19(15-22(16-20)28(32,33)34)18-8-5-9-21(14-18)27(29,30)31;1-18-9-7-12-23-24(18)32-25(33-26(23)31-13-8-14-34(2)3)21-15-20(19-10-5-4-6-11-19)16-22(17-21)27(28,29)30/h7-9,11,13-17,19,21,23H,5-6,10,12,18,20H2,1-4H3,(H,36,37,38);7-8,10,12-14,16-19,21H,5-6,9,11,15H2,1-4H3,(H,39,40,41);7-10,12,14-16,18-20,22H,5-6,11,13,17H2,1-4H3,(H,35,36,37);4-5,7-10,13-16H,6,11-12H2,1-3H3,(H,35,36,37);4-7,9-12,15-17H,8,13-14H2,1-3H3,(H,31,32,33)
• InChIKey: JPNHMJJLPFCBTP-UHFFFAOYSA-N
• XLogP: 40.61
• TPSA: 210.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 45
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2680.95
LogP ≤ 5	40.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[7-chloro-1-[(3-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine?

The IUPAC name of 4-N-[2-[7-chloro-1-[(3-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine (CID 158985532) is 4-N-[2-[7-chloro-1-[(3-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine.

What is the SMILES notation for 4-N-[2-[7-chloro-1-[(3-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine?

The canonical SMILES for 4-N-[2-[7-chloro-1-[(3-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine is CCN(CC)CCCC(C)Nc1nc(-c2cc(-c3cccc(C(F)(F)F)c3)cc(C(F)(F)F)c2)nc2c(C)cccc12.CCN(CC)CCCC(C)Nc1nc(-c2cc(-c3ccccc3)cc(C(F)(F)F)c2)nc2c(C)cccc12.CCN(CC)CCCC(C)Nc1nc(-c2cn(Cc3cccc(Cl)c3)c3c(Cl)cccc23)nc2c(C)cccc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cc(-c4cccc(C(F)(F)F)c4)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12.

What is the InChIKey of 4-N-[2-[7-chloro-1-[(3-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine?

The InChIKey is JPNHMJJLPFCBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37Cl2N5.C32H34F6N4.C31H35F3N4.C28H26F6N4.C27H27F3N4/c1-5-39(6-2)18-10-12-23(4)36-32-27-16-7-11-22(3)30(27)37-33(38-32)28-21-40(20-24-13-8-14-25(34)19-24)31-26(28)15-9-17-29(31)35;1-5-42(6-2)15-9-11-21(4)39-30-27-14-7-10-20(3)28(27)40-29(41-30)24-16-23(18-26(19-24)32(36,37)38)22-12-8-13-25(17-22)31(33,34)35;1-5-38(6-2)17-11-13-22(4)35-30-27-16-10-12-21(3)28(27)36-29(37-30)25-18-24(23-14-8-7-9-15-23)19-26(20-25)31(32,33)34;1-17-7-4-10-23-24(17)36-25(37-26(23)35-11-6-12-38(2)3)20-13-19(15-22(16-20)28(32,33)34)18-8-5-9-21(14-18)27(29,30)31;1-18-9-7-12-23-24(18)32-25(33-26(23)31-13-8-14-34(2)3)21-15-20(19-10-5-4-6-11-19)16-22(17-21)27(28,29)30/h7-9,11,13-17,19,21,23H,5-6,10,12,18,20H2,1-4H3,(H,36,37,38);7-8,10,12-14,16-19,21H,5-6,9,11,15H2,1-4H3,(H,39,40,41);7-10,12,14-16,18-20,22H,5-6,11,13,17H2,1-4H3,(H,35,36,37);4-5,7-10,13-16H,6,11-12H2,1-3H3,(H,35,36,37);4-7,9-12,15-17H,8,13-14H2,1-3H3,(H,31,32,33).

What are the key properties of 4-N-[2-[7-chloro-1-[(3-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine?

4-N-[2-[7-chloro-1-[(3-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine has a molecular weight of 2680.95 g/mol, XLogP of 40.61, 45 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[2-[7-chloro-1-[(3-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 158985532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).