2-(1-benzyl-7-chloroindol-3-yl)-8-methyl-N-octan-2-ylquinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperazin-1-ylpropyl)quinazolin-4-amine;tert-butyl N-(4-aminopentyl)-N-ethylcarbamate;tert-butyl N-(3-aminopropyl)-N-methylcarbamate;tert-butyl 4-(3-aminopropyl)piperazine-1-carboxylate;N'-[2-[7-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N-methyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine

C142H183BrCl3F6N25O6 — CID 158926207

About 2-(1-benzyl-7-chloroindol-3-yl)-8-methyl-N-octan-2-ylquinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperazin-1-ylpropyl)quinazolin-4-amine;tert-butyl N-(4-aminopentyl)-N-ethylcarbamate;tert-butyl N-(3-aminopropyl)-N-methylcarbamate;tert-butyl 4-(3-aminopropyl)piperazine-1-carboxylate;N'-[2-[7-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N-methyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine

2-(1-benzyl-7-chloroindol-3-yl)-8-methyl-N-octan-2-ylquinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperazin-1-ylpropyl)quinazolin-4-amine;tert-butyl N-(4-aminopentyl)-N-ethylcarbamate;tert-butyl N-(3-aminopropyl)-N-methylcarbamate;tert-butyl 4-(3-aminopropyl)piperazine-1-carboxylate;N'-[2-[7-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N-methyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine (PubChem CID 158926207) has the molecular formula C142H183BrCl3F6N25O6 and a molecular weight of 2636.45 g/mol. Its IUPAC name is 2-(1-benzyl-7-chloroindol-3-yl)-8-methyl-N-octan-2-ylquinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperazin-1-ylpropyl)quinazolin-4-amine;tert-butyl N-(4-aminopentyl)-N-ethylcarbamate;tert-butyl N-(3-aminopropyl)-N-methylcarbamate;tert-butyl 4-(3-aminopropyl)piperazine-1-carboxylate;N'-[2-[7-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N-methyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine.

Molecular Properties

• Compound Name: 2-(1-benzyl-7-chloroindol-3-yl)-8-methyl-N-octan-2-ylquinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperazin-1-ylpropyl)quinazolin-4-amine;tert-butyl N-(4-aminopentyl)-N-ethylcarbamate;tert-butyl N-(3-aminopropyl)-N-methylcarbamate;tert-butyl 4-(3-aminopropyl)piperazine-1-carboxylate;N'-[2-[7-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N-methyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine
• PubChem CID: 158926207
• Molecular Formula: C142H183BrCl3F6N25O6
• Molecular Weight: 2636.45 g/mol
• Exact Mass: 2632.29
• IUPAC Name: 2-(1-benzyl-7-chloroindol-3-yl)-8-methyl-N-octan-2-ylquinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperazin-1-ylpropyl)quinazolin-4-amine;tert-butyl N-(4-aminopentyl)-N-ethylcarbamate;tert-butyl N-(3-aminopropyl)-N-methylcarbamate;tert-butyl 4-(3-aminopropyl)piperazine-1-carboxylate;N'-[2-[7-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N-methyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine
• SMILES: CC(C)(C)OC(=O)N1CCN(CCCN)CC1.CCCCCCC(C)Nc1nc(-c2cn(Cc3ccccc3)c3c(Cl)cccc23)nc2c(C)cccc12.CCN(CCCC(C)N)C(=O)OC(C)(C)C.CN(CCCN)C(=O)OC(C)(C)C.CNCCCNc1nc(-c2cccc(-c3cccc(C(F)(F)F)c3)c2)nc2c(C)cccc12.CNCCCNc1nc(-c2cn(Cc3ccc(Cl)cc3)c3c(Cl)cccc23)nc2c(C)cccc12.Cc1cccc2c(NCCCN3CCNCC3)nc(-c3cc(Br)cc(C(F)(F)F)c3)nc12
• InChI: InChI=1S/C32H35ClN4.C28H27Cl2N5.C26H25F3N4.C23H25BrF3N5.C12H25N3O2.C12H26N2O2.C9H20N2O2/c1-4-5-6-8-14-23(3)34-31-26-18-11-13-22(2)29(26)35-32(36-31)27-21-37(20-24-15-9-7-10-16-24)30-25(27)17-12-19-28(30)33;1-18-6-3-8-22-25(18)33-28(34-27(22)32-15-5-14-31-2)23-17-35(16-19-10-12-20(29)13-11-19)26-21(23)7-4-9-24(26)30;1-17-7-3-12-22-23(17)32-24(33-25(22)31-14-6-13-30-2)20-10-4-8-18(15-20)19-9-5-11-21(16-19)26(27,28)29;1-15-4-2-5-19-20(15)30-21(16-12-17(23(25,26)27)14-18(24)13-16)31-22(19)29-6-3-9-32-10-7-28-8-11-32;1-12(2,3)17-11(16)15-9-7-14(8-10-15)6-4-5-13;1-6-14(9-7-8-10(2)13)11(15)16-12(3,4)5;1-9(2,3)13-8(12)11(4)7-5-6-10/h7,9-13,15-19,21,23H,4-6,8,14,20H2,1-3H3,(H,34,35,36);3-4,6-13,17,31H,5,14-16H2,1-2H3,(H,32,33,34);3-5,7-12,15-16,30H,6,13-14H2,1-2H3,(H,31,32,33);2,4-5,12-14,28H,3,6-11H2,1H3,(H,29,30,31);4-10,13H2,1-3H3;10H,6-9,13H2,1-5H3;5-7,10H2,1-4H3
• InChIKey: JILYRDVEBVNGSS-UHFFFAOYSA-N
• XLogP: 31.84
• TPSA: 370.35 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 42
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2636.45
LogP ≤ 5	31.84
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-7-chloroindol-3-yl)-8-methyl-N-octan-2-ylquinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperazin-1-ylpropyl)quinazolin-4-amine;tert-butyl N-(4-aminopentyl)-N-ethylcarbamate;tert-butyl N-(3-aminopropyl)-N-methylcarbamate;tert-butyl 4-(3-aminopropyl)piperazine-1-carboxylate;N'-[2-[7-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N-methyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine?

The IUPAC name of 2-(1-benzyl-7-chloroindol-3-yl)-8-methyl-N-octan-2-ylquinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperazin-1-ylpropyl)quinazolin-4-amine;tert-butyl N-(4-aminopentyl)-N-ethylcarbamate;tert-butyl N-(3-aminopropyl)-N-methylcarbamate;tert-butyl 4-(3-aminopropyl)piperazine-1-carboxylate;N'-[2-[7-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N-methyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine (CID 158926207) is 2-(1-benzyl-7-chloroindol-3-yl)-8-methyl-N-octan-2-ylquinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperazin-1-ylpropyl)quinazolin-4-amine;tert-butyl N-(4-aminopentyl)-N-ethylcarbamate;tert-butyl N-(3-aminopropyl)-N-methylcarbamate;tert-butyl 4-(3-aminopropyl)piperazine-1-carboxylate;N'-[2-[7-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N-methyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine.

What is the SMILES notation for 2-(1-benzyl-7-chloroindol-3-yl)-8-methyl-N-octan-2-ylquinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperazin-1-ylpropyl)quinazolin-4-amine;tert-butyl N-(4-aminopentyl)-N-ethylcarbamate;tert-butyl N-(3-aminopropyl)-N-methylcarbamate;tert-butyl 4-(3-aminopropyl)piperazine-1-carboxylate;N'-[2-[7-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N-methyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine?

The canonical SMILES for 2-(1-benzyl-7-chloroindol-3-yl)-8-methyl-N-octan-2-ylquinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperazin-1-ylpropyl)quinazolin-4-amine;tert-butyl N-(4-aminopentyl)-N-ethylcarbamate;tert-butyl N-(3-aminopropyl)-N-methylcarbamate;tert-butyl 4-(3-aminopropyl)piperazine-1-carboxylate;N'-[2-[7-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N-methyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine is CC(C)(C)OC(=O)N1CCN(CCCN)CC1.CCCCCCC(C)Nc1nc(-c2cn(Cc3ccccc3)c3c(Cl)cccc23)nc2c(C)cccc12.CCN(CCCC(C)N)C(=O)OC(C)(C)C.CN(CCCN)C(=O)OC(C)(C)C.CNCCCNc1nc(-c2cccc(-c3cccc(C(F)(F)F)c3)c2)nc2c(C)cccc12.CNCCCNc1nc(-c2cn(Cc3ccc(Cl)cc3)c3c(Cl)cccc23)nc2c(C)cccc12.Cc1cccc2c(NCCCN3CCNCC3)nc(-c3cc(Br)cc(C(F)(F)F)c3)nc12.

What is the InChIKey of 2-(1-benzyl-7-chloroindol-3-yl)-8-methyl-N-octan-2-ylquinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperazin-1-ylpropyl)quinazolin-4-amine;tert-butyl N-(4-aminopentyl)-N-ethylcarbamate;tert-butyl N-(3-aminopropyl)-N-methylcarbamate;tert-butyl 4-(3-aminopropyl)piperazine-1-carboxylate;N'-[2-[7-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N-methyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine?

The InChIKey is JILYRDVEBVNGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClN4.C28H27Cl2N5.C26H25F3N4.C23H25BrF3N5.C12H25N3O2.C12H26N2O2.C9H20N2O2/c1-4-5-6-8-14-23(3)34-31-26-18-11-13-22(2)29(26)35-32(36-31)27-21-37(20-24-15-9-7-10-16-24)30-25(27)17-12-19-28(30)33;1-18-6-3-8-22-25(18)33-28(34-27(22)32-15-5-14-31-2)23-17-35(16-19-10-12-20(29)13-11-19)26-21(23)7-4-9-24(26)30;1-17-7-3-12-22-23(17)32-24(33-25(22)31-14-6-13-30-2)20-10-4-8-18(15-20)19-9-5-11-21(16-19)26(27,28)29;1-15-4-2-5-19-20(15)30-21(16-12-17(23(25,26)27)14-18(24)13-16)31-22(19)29-6-3-9-32-10-7-28-8-11-32;1-12(2,3)17-11(16)15-9-7-14(8-10-15)6-4-5-13;1-6-14(9-7-8-10(2)13)11(15)16-12(3,4)5;1-9(2,3)13-8(12)11(4)7-5-6-10/h7,9-13,15-19,21,23H,4-6,8,14,20H2,1-3H3,(H,34,35,36);3-4,6-13,17,31H,5,14-16H2,1-2H3,(H,32,33,34);3-5,7-12,15-16,30H,6,13-14H2,1-2H3,(H,31,32,33);2,4-5,12-14,28H,3,6-11H2,1H3,(H,29,30,31);4-10,13H2,1-3H3;10H,6-9,13H2,1-5H3;5-7,10H2,1-4H3.

What are the key properties of 2-(1-benzyl-7-chloroindol-3-yl)-8-methyl-N-octan-2-ylquinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperazin-1-ylpropyl)quinazolin-4-amine;tert-butyl N-(4-aminopentyl)-N-ethylcarbamate;tert-butyl N-(3-aminopropyl)-N-methylcarbamate;tert-butyl 4-(3-aminopropyl)piperazine-1-carboxylate;N'-[2-[7-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N-methyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine?

2-(1-benzyl-7-chloroindol-3-yl)-8-methyl-N-octan-2-ylquinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperazin-1-ylpropyl)quinazolin-4-amine;tert-butyl N-(4-aminopentyl)-N-ethylcarbamate;tert-butyl N-(3-aminopropyl)-N-methylcarbamate;tert-butyl 4-(3-aminopropyl)piperazine-1-carboxylate;N'-[2-[7-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N-methyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine has a molecular weight of 2636.45 g/mol, XLogP of 31.84, 42 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzyl-7-chloroindol-3-yl)-8-methyl-N-octan-2-ylquinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperazin-1-ylpropyl)quinazolin-4-amine;tert-butyl N-(4-aminopentyl)-N-ethylcarbamate;tert-butyl N-(3-aminopropyl)-N-methylcarbamate;tert-butyl 4-(3-aminopropyl)piperazine-1-carboxylate;N'-[2-[7-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N-methyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 158926207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).