4-N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine

C145H157Br2F3N20 — CID 162099943

About 4-N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine

4-N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine (PubChem CID 162099943) has the molecular formula C145H157Br2F3N20 and a molecular weight of 2396.79 g/mol. Its IUPAC name is 4-N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine.

Molecular Properties

• Compound Name: 4-N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine
• PubChem CID: 162099943
• Molecular Formula: C145H157Br2F3N20
• Molecular Weight: 2396.79 g/mol
• Exact Mass: 2393.12
• IUPAC Name: 4-N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine
• SMILES: CCN(CC)CCCC(C)Nc1nc(-c2cc(Br)c3ccccc3c2)nc2c(C)cccc12.CCN(CC)CCCC(C)Nc1nc(-c2cc(Cc3ccccc3)c3ccccc3c2)nc2c(C)cccc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cc(Br)c4ccccc4c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cc(Cc4ccccc4)c4ccccc4c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cccc(-c4cccc(C(F)(F)F)c4)c3)nc12
• InChI: InChI=1S/C35H40N4.C31H32N4.C28H33BrN4.C27H27F3N4.C24H25BrN4/c1-5-39(6-2)21-13-15-26(4)36-35-32-20-12-14-25(3)33(32)37-34(38-35)30-23-28-18-10-11-19-31(28)29(24-30)22-27-16-8-7-9-17-27;1-22-11-9-16-28-29(22)33-30(34-31(28)32-17-10-18-35(2)3)26-20-24-14-7-8-15-27(24)25(21-26)19-23-12-5-4-6-13-23;1-5-33(6-2)16-10-12-20(4)30-28-24-15-9-11-19(3)26(24)31-27(32-28)22-17-21-13-7-8-14-23(21)25(29)18-22;1-18-8-4-13-23-24(18)32-25(33-26(23)31-14-7-15-34(2)3)21-11-5-9-19(16-21)20-10-6-12-22(17-20)27(28,29)30;1-16-8-6-11-20-22(16)27-23(28-24(20)26-12-7-13-29(2)3)18-14-17-9-4-5-10-19(17)21(25)15-18/h7-12,14,16-20,23-24,26H,5-6,13,15,21-22H2,1-4H3,(H,36,37,38);4-9,11-16,20-21H,10,17-19H2,1-3H3,(H,32,33,34);7-9,11,13-15,17-18,20H,5-6,10,12,16H2,1-4H3,(H,30,31,32);4-6,8-13,16-17H,7,14-15H2,1-3H3,(H,31,32,33);4-6,8-11,14-15H,7,12-13H2,1-3H3,(H,26,27,28)
• InChIKey: ZETAMUQYENLJIV-UHFFFAOYSA-N
• XLogP: 34.97
• TPSA: 205.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 41
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2396.79
LogP ≤ 5	34.97
H-Bond Donors ≤ 5	5
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 4-N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine?

The IUPAC name of 4-N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine (CID 162099943) is 4-N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine.

What is the SMILES notation for 4-N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine?

The canonical SMILES for 4-N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine is CCN(CC)CCCC(C)Nc1nc(-c2cc(Br)c3ccccc3c2)nc2c(C)cccc12.CCN(CC)CCCC(C)Nc1nc(-c2cc(Cc3ccccc3)c3ccccc3c2)nc2c(C)cccc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cc(Br)c4ccccc4c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cc(Cc4ccccc4)c4ccccc4c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cccc(-c4cccc(C(F)(F)F)c4)c3)nc12.

What is the InChIKey of 4-N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine?

The InChIKey is ZETAMUQYENLJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N4.C31H32N4.C28H33BrN4.C27H27F3N4.C24H25BrN4/c1-5-39(6-2)21-13-15-26(4)36-35-32-20-12-14-25(3)33(32)37-34(38-35)30-23-28-18-10-11-19-31(28)29(24-30)22-27-16-8-7-9-17-27;1-22-11-9-16-28-29(22)33-30(34-31(28)32-17-10-18-35(2)3)26-20-24-14-7-8-15-27(24)25(21-26)19-23-12-5-4-6-13-23;1-5-33(6-2)16-10-12-20(4)30-28-24-15-9-11-19(3)26(24)31-27(32-28)22-17-21-13-7-8-14-23(21)25(29)18-22;1-18-8-4-13-23-24(18)32-25(33-26(23)31-14-7-15-34(2)3)21-11-5-9-19(16-21)20-10-6-12-22(17-20)27(28,29)30;1-16-8-6-11-20-22(16)27-23(28-24(20)26-12-7-13-29(2)3)18-14-17-9-4-5-10-19(17)21(25)15-18/h7-12,14,16-20,23-24,26H,5-6,13,15,21-22H2,1-4H3,(H,36,37,38);4-9,11-16,20-21H,10,17-19H2,1-3H3,(H,32,33,34);7-9,11,13-15,17-18,20H,5-6,10,12,16H2,1-4H3,(H,30,31,32);4-6,8-13,16-17H,7,14-15H2,1-3H3,(H,31,32,33);4-6,8-11,14-15H,7,12-13H2,1-3H3,(H,26,27,28).

What are the key properties of 4-N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine?

4-N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine has a molecular weight of 2396.79 g/mol, XLogP of 34.97, 41 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-benzylnaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(4-bromonaphthalen-2-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 162099943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).