N-[2-(1-benzyl-6-chloroindol-2-yl)-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[8-chloro-2-(5-chloro-1-benzothiophen-3-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-6-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine

C169H176Cl5F12N29O2S — CID 159742754

About N-[2-(1-benzyl-6-chloroindol-2-yl)-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[8-chloro-2-(5-chloro-1-benzothiophen-3-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-6-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine

N-[2-(1-benzyl-6-chloroindol-2-yl)-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[8-chloro-2-(5-chloro-1-benzothiophen-3-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-6-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine (PubChem CID 159742754) has the molecular formula C169H176Cl5F12N29O2S and a molecular weight of 3082.78 g/mol. Its IUPAC name is N-[2-(1-benzyl-6-chloroindol-2-yl)-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[8-chloro-2-(5-chloro-1-benzothiophen-3-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-6-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine.

Molecular Properties

• Compound Name: N-[2-(1-benzyl-6-chloroindol-2-yl)-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[8-chloro-2-(5-chloro-1-benzothiophen-3-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-6-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine
• PubChem CID: 159742754
• Molecular Formula: C169H176Cl5F12N29O2S
• Molecular Weight: 3082.78 g/mol
• Exact Mass: 3078.25
• IUPAC Name: N-[2-(1-benzyl-6-chloroindol-2-yl)-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[8-chloro-2-(5-chloro-1-benzothiophen-3-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-6-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine
• SMILES: CN(C)CCCNc1nc(-c2cc3ccc(Cl)cc3n2Cc2ccccc2)nc2c(Cl)cccc12.CN(C)CCCNc1nc(-c2csc3ccc(Cl)cc23)nc2c(Cl)cccc12.CNCCCNc1nc(-c2cc(-c3ccccc3Cl)cc(C(F)(F)F)c2)nc2c(C)cccc12.Cc1c(N2CCOCC2)ccc2c(NCCCN(C)C)nc(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12.Cc1cc(N2CCOCC2)cc2c(NCCCN(C)C)nc(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cc(N4CCN(Cc5ccccc5)CC4)cc(C(F)(F)F)c3)nc12
• InChI: InChI=1S/C32H37F3N6.2C31H34F3N5O.C28H27Cl2N5.C26H24ClF3N4.C21H20Cl2N4S/c1-23-9-7-12-28-29(23)37-30(38-31(28)36-13-8-14-39(2)3)25-19-26(32(33,34)35)21-27(20-25)41-17-15-40(16-18-41)22-24-10-5-4-6-11-24;1-21-27(39-14-16-40-17-15-39)11-10-26-28(21)36-29(37-30(26)35-12-7-13-38(2)3)24-18-23(22-8-5-4-6-9-22)19-25(20-24)31(32,33)34;1-21-16-26(39-12-14-40-15-13-39)20-27-28(21)36-29(37-30(27)35-10-7-11-38(2)3)24-17-23(22-8-5-4-6-9-22)18-25(19-24)31(32,33)34;1-34(2)15-7-14-31-27-22-10-6-11-23(30)26(22)32-28(33-27)25-16-20-12-13-21(29)17-24(20)35(25)18-19-8-4-3-5-9-19;1-16-7-5-9-21-23(16)33-24(34-25(21)32-12-6-11-31-2)18-13-17(14-19(15-18)26(28,29)30)20-8-3-4-10-22(20)27;1-27(2)10-4-9-24-20-14-5-3-6-17(23)19(14)25-21(26-20)16-12-28-18-8-7-13(22)11-15(16)18/h4-7,9-12,19-21H,8,13-18,22H2,1-3H3,(H,36,37,38);4-6,8-11,18-20H,7,12-17H2,1-3H3,(H,35,36,37);4-6,8-9,16-20H,7,10-15H2,1-3H3,(H,35,36,37);3-6,8-13,16-17H,7,14-15,18H2,1-2H3,(H,31,32,33);3-5,7-10,13-15,31H,6,11-12H2,1-2H3,(H,32,33,34);3,5-8,11-12H,4,9-10H2,1-2H3,(H,24,25,26)
• InChIKey: NCQYTDJWPGUIHD-UHFFFAOYSA-N
• XLogP: 39.41
• TPSA: 291.44 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 46
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3082.78
LogP ≤ 5	39.41
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

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-6-chloroindol-2-yl)-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[8-chloro-2-(5-chloro-1-benzothiophen-3-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-6-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine?

The IUPAC name of N-[2-(1-benzyl-6-chloroindol-2-yl)-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[8-chloro-2-(5-chloro-1-benzothiophen-3-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-6-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine (CID 159742754) is N-[2-(1-benzyl-6-chloroindol-2-yl)-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[8-chloro-2-(5-chloro-1-benzothiophen-3-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-6-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine.

What is the SMILES notation for N-[2-(1-benzyl-6-chloroindol-2-yl)-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[8-chloro-2-(5-chloro-1-benzothiophen-3-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-6-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine?

The canonical SMILES for N-[2-(1-benzyl-6-chloroindol-2-yl)-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[8-chloro-2-(5-chloro-1-benzothiophen-3-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-6-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine is CN(C)CCCNc1nc(-c2cc3ccc(Cl)cc3n2Cc2ccccc2)nc2c(Cl)cccc12.CN(C)CCCNc1nc(-c2csc3ccc(Cl)cc23)nc2c(Cl)cccc12.CNCCCNc1nc(-c2cc(-c3ccccc3Cl)cc(C(F)(F)F)c2)nc2c(C)cccc12.Cc1c(N2CCOCC2)ccc2c(NCCCN(C)C)nc(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12.Cc1cc(N2CCOCC2)cc2c(NCCCN(C)C)nc(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cc(N4CCN(Cc5ccccc5)CC4)cc(C(F)(F)F)c3)nc12.

What is the InChIKey of N-[2-(1-benzyl-6-chloroindol-2-yl)-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[8-chloro-2-(5-chloro-1-benzothiophen-3-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-6-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine?

The InChIKey is NCQYTDJWPGUIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F3N6.2C31H34F3N5O.C28H27Cl2N5.C26H24ClF3N4.C21H20Cl2N4S/c1-23-9-7-12-28-29(23)37-30(38-31(28)36-13-8-14-39(2)3)25-19-26(32(33,34)35)21-27(20-25)41-17-15-40(16-18-41)22-24-10-5-4-6-11-24;1-21-27(39-14-16-40-17-15-39)11-10-26-28(21)36-29(37-30(26)35-12-7-13-38(2)3)24-18-23(22-8-5-4-6-9-22)19-25(20-24)31(32,33)34;1-21-16-26(39-12-14-40-15-13-39)20-27-28(21)36-29(37-30(27)35-10-7-11-38(2)3)24-17-23(22-8-5-4-6-9-22)18-25(19-24)31(32,33)34;1-34(2)15-7-14-31-27-22-10-6-11-23(30)26(22)32-28(33-27)25-16-20-12-13-21(29)17-24(20)35(25)18-19-8-4-3-5-9-19;1-16-7-5-9-21-23(16)33-24(34-25(21)32-12-6-11-31-2)18-13-17(14-19(15-18)26(28,29)30)20-8-3-4-10-22(20)27;1-27(2)10-4-9-24-20-14-5-3-6-17(23)19(14)25-21(26-20)16-12-28-18-8-7-13(22)11-15(16)18/h4-7,9-12,19-21H,8,13-18,22H2,1-3H3,(H,36,37,38);4-6,8-11,18-20H,7,12-17H2,1-3H3,(H,35,36,37);4-6,8-9,16-20H,7,10-15H2,1-3H3,(H,35,36,37);3-6,8-13,16-17H,7,14-15,18H2,1-2H3,(H,31,32,33);3-5,7-10,13-15,31H,6,11-12H2,1-2H3,(H,32,33,34);3,5-8,11-12H,4,9-10H2,1-2H3,(H,24,25,26).

What are the key properties of N-[2-(1-benzyl-6-chloroindol-2-yl)-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[8-chloro-2-(5-chloro-1-benzothiophen-3-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-6-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine?

N-[2-(1-benzyl-6-chloroindol-2-yl)-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[8-chloro-2-(5-chloro-1-benzothiophen-3-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-6-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine has a molecular weight of 3082.78 g/mol, XLogP of 39.41, 46 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-benzyl-6-chloroindol-2-yl)-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[8-chloro-2-(5-chloro-1-benzothiophen-3-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-6-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 159742754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).