N-[2-(1-benzyl-7-chloroindazol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine

C171H184ClF11N26 — CID 159187565

About N-[2-(1-benzyl-7-chloroindazol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine

N-[2-(1-benzyl-7-chloroindazol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 159187565) has the molecular formula C171H184ClF11N26 and a molecular weight of 2847.97 g/mol. Its IUPAC name is N-[2-(1-benzyl-7-chloroindazol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

• Compound Name: N-[2-(1-benzyl-7-chloroindazol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
• PubChem CID: 159187565
• Molecular Formula: C171H184ClF11N26
• Molecular Weight: 2847.97 g/mol
• Exact Mass: 2845.47
• IUPAC Name: N-[2-(1-benzyl-7-chloroindazol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
• SMILES: CCN(CC)CCCC(C)Nc1nc(-c2cccc(-c3cc(C(F)(F)F)ccc3F)c2)nc2cc(C)ccc12.CCN(CC)CCCC(C)Nc1nc(-c2cccc(-c3ccccc3)c2)nc2cc(C)ccc12.Cc1ccc(-c2cc(-c3nc(NCCCN(C)C)c4cccc(C)c4n3)cc(C(F)(F)F)c2)cc1C.Cc1ccc2c(NCCCN(C)C)nc(-c3cccc(-c4cc(C(F)(F)F)ccc4F)c3)nc2c1.Cc1ccc2c(NCCCN(C)C)nc(-c3cccc(-c4ccccc4)c3)nc2c1.Cc1cccc2c(NCCCN(C)C)nc(-c3nn(Cc4ccccc4)c4c(Cl)cccc34)nc12
• InChI: InChI=1S/C31H34F4N4.C30H36N4.C29H31F3N4.C28H29ClN6.C27H26F4N4.C26H28N4/c1-5-39(6-2)16-8-9-21(4)36-30-25-14-12-20(3)17-28(25)37-29(38-30)23-11-7-10-22(18-23)26-19-24(31(33,34)35)13-15-27(26)32;1-5-34(6-2)19-11-12-23(4)31-30-27-18-17-22(3)20-28(27)32-29(33-30)26-16-10-15-25(21-26)24-13-8-7-9-14-24;1-18-10-11-21(14-20(18)3)22-15-23(17-24(16-22)29(30,31)32)27-34-26-19(2)8-6-9-25(26)28(35-27)33-12-7-13-36(4)5;1-19-10-7-14-22-24(19)31-28(32-27(22)30-16-9-17-34(2)3)25-21-13-8-15-23(29)26(21)35(33-25)18-20-11-5-4-6-12-20;1-17-8-10-21-24(14-17)33-25(34-26(21)32-12-5-13-35(2)3)19-7-4-6-18(15-19)22-16-20(27(29,30)31)9-11-23(22)28;1-19-13-14-23-24(17-19)28-25(29-26(23)27-15-8-16-30(2)3)22-12-7-11-21(18-22)20-9-5-4-6-10-20/h7,10-15,17-19,21H,5-6,8-9,16H2,1-4H3,(H,36,37,38);7-10,13-18,20-21,23H,5-6,11-12,19H2,1-4H3,(H,31,32,33);6,8-11,14-17H,7,12-13H2,1-5H3,(H,33,34,35);4-8,10-15H,9,16-18H2,1-3H3,(H,30,31,32);4,6-11,14-16H,5,12-13H2,1-3H3,(H,32,33,34);4-7,9-14,17-18H,8,15-16H2,1-3H3,(H,27,28,29)
• InChIKey: KNRJXJIBDZOFMP-UHFFFAOYSA-N
• XLogP: 41.27
• TPSA: 264.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 49
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2847.97
LogP ≤ 5	41.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzyl-7-chloroindazol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?

The IUPAC name of N-[2-(1-benzyl-7-chloroindazol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine (CID 159187565) is N-[2-(1-benzyl-7-chloroindazol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

What is the SMILES notation for N-[2-(1-benzyl-7-chloroindazol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?

The canonical SMILES for N-[2-(1-benzyl-7-chloroindazol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine is CCN(CC)CCCC(C)Nc1nc(-c2cccc(-c3cc(C(F)(F)F)ccc3F)c2)nc2cc(C)ccc12.CCN(CC)CCCC(C)Nc1nc(-c2cccc(-c3ccccc3)c2)nc2cc(C)ccc12.Cc1ccc(-c2cc(-c3nc(NCCCN(C)C)c4cccc(C)c4n3)cc(C(F)(F)F)c2)cc1C.Cc1ccc2c(NCCCN(C)C)nc(-c3cccc(-c4cc(C(F)(F)F)ccc4F)c3)nc2c1.Cc1ccc2c(NCCCN(C)C)nc(-c3cccc(-c4ccccc4)c3)nc2c1.Cc1cccc2c(NCCCN(C)C)nc(-c3nn(Cc4ccccc4)c4c(Cl)cccc34)nc12.

What is the InChIKey of N-[2-(1-benzyl-7-chloroindazol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?

The InChIKey is KNRJXJIBDZOFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F4N4.C30H36N4.C29H31F3N4.C28H29ClN6.C27H26F4N4.C26H28N4/c1-5-39(6-2)16-8-9-21(4)36-30-25-14-12-20(3)17-28(25)37-29(38-30)23-11-7-10-22(18-23)26-19-24(31(33,34)35)13-15-27(26)32;1-5-34(6-2)19-11-12-23(4)31-30-27-18-17-22(3)20-28(27)32-29(33-30)26-16-10-15-25(21-26)24-13-8-7-9-14-24;1-18-10-11-21(14-20(18)3)22-15-23(17-24(16-22)29(30,31)32)27-34-26-19(2)8-6-9-25(26)28(35-27)33-12-7-13-36(4)5;1-19-10-7-14-22-24(19)31-28(32-27(22)30-16-9-17-34(2)3)25-21-13-8-15-23(29)26(21)35(33-25)18-20-11-5-4-6-12-20;1-17-8-10-21-24(14-17)33-25(34-26(21)32-12-5-13-35(2)3)19-7-4-6-18(15-19)22-16-20(27(29,30)31)9-11-23(22)28;1-19-13-14-23-24(17-19)28-25(29-26(23)27-15-8-16-30(2)3)22-12-7-11-21(18-22)20-9-5-4-6-10-20/h7,10-15,17-19,21H,5-6,8-9,16H2,1-4H3,(H,36,37,38);7-10,13-18,20-21,23H,5-6,11-12,19H2,1-4H3,(H,31,32,33);6,8-11,14-17H,7,12-13H2,1-5H3,(H,33,34,35);4-8,10-15H,9,16-18H2,1-3H3,(H,30,31,32);4,6-11,14-16H,5,12-13H2,1-3H3,(H,32,33,34);4-7,9-14,17-18H,8,15-16H2,1-3H3,(H,27,28,29).

What are the key properties of N-[2-(1-benzyl-7-chloroindazol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?

N-[2-(1-benzyl-7-chloroindazol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 2847.97 g/mol, XLogP of 41.27, 49 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-benzyl-7-chloroindazol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[7-methyl-2-(3-phenylphenyl)quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3,4-dimethylphenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 159187565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).