N-[2-[3-(3,5-dichlorophenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine

C142H146Cl2F16N20 — CID 159596117

About N-[2-[3-(3,5-dichlorophenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine

N-[2-[3-(3,5-dichlorophenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 159596117) has the molecular formula C142H146Cl2F16N20 and a molecular weight of 2507.74 g/mol. Its IUPAC name is N-[2-[3-(3,5-dichlorophenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

• Compound Name: N-[2-[3-(3,5-dichlorophenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
• PubChem CID: 159596117
• Molecular Formula: C142H146Cl2F16N20
• Molecular Weight: 2507.74 g/mol
• Exact Mass: 2505.12
• IUPAC Name: N-[2-[3-(3,5-dichlorophenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
• SMILES: CCN(CC)CCCC(C)Nc1nc(-c2cccc(-c3cc(C(F)(F)F)ccc3F)c2)nc2c(C)cccc12.CCN(CC)CCCC(C)Nc1nc(-c2cccc(-c3ccc(C(F)(F)F)cc3F)c2)nc2c(C)cccc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cccc(-c4cc(C(F)(F)F)ccc4F)c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cccc(-c4cc(Cl)cc(Cl)c4)c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cccc(-c4ccc(C(F)(F)F)cc4F)c3)nc12
• InChI: InChI=1S/2C31H34F4N4.2C27H26F4N4.C26H26Cl2N4/c1-5-39(6-2)17-9-11-21(4)36-30-26-14-7-10-20(3)28(26)37-29(38-30)23-13-8-12-22(18-23)25-16-15-24(19-27(25)32)31(33,34)35;1-5-39(6-2)17-9-11-21(4)36-30-25-14-7-10-20(3)28(25)37-29(38-30)23-13-8-12-22(18-23)26-19-24(31(33,34)35)15-16-27(26)32;1-17-7-4-10-22-24(17)33-25(34-26(22)32-13-6-14-35(2)3)19-9-5-8-18(15-19)21-12-11-20(16-23(21)28)27(29,30)31;1-17-7-4-10-21-24(17)33-25(34-26(21)32-13-6-14-35(2)3)19-9-5-8-18(15-19)22-16-20(27(29,30)31)11-12-23(22)28;1-17-7-4-10-23-24(17)30-25(31-26(23)29-11-6-12-32(2)3)19-9-5-8-18(13-19)20-14-21(27)16-22(28)15-20/h2*7-8,10,12-16,18-19,21H,5-6,9,11,17H2,1-4H3,(H,36,37,38);2*4-5,7-12,15-16H,6,13-14H2,1-3H3,(H,32,33,34);4-5,7-10,13-16H,6,11-12H2,1-3H3,(H,29,30,31)
• InChIKey: MKWBEZMGJJKXTK-UHFFFAOYSA-N
• XLogP: 37.24
• TPSA: 205.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 41
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2507.74
LogP ≤ 5	37.24
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 N-[2-[3-(3,5-dichlorophenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?

The IUPAC name of N-[2-[3-(3,5-dichlorophenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine (CID 159596117) is N-[2-[3-(3,5-dichlorophenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

What is the SMILES notation for N-[2-[3-(3,5-dichlorophenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?

The canonical SMILES for N-[2-[3-(3,5-dichlorophenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine is CCN(CC)CCCC(C)Nc1nc(-c2cccc(-c3cc(C(F)(F)F)ccc3F)c2)nc2c(C)cccc12.CCN(CC)CCCC(C)Nc1nc(-c2cccc(-c3ccc(C(F)(F)F)cc3F)c2)nc2c(C)cccc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cccc(-c4cc(C(F)(F)F)ccc4F)c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cccc(-c4cc(Cl)cc(Cl)c4)c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cccc(-c4ccc(C(F)(F)F)cc4F)c3)nc12.

What is the InChIKey of N-[2-[3-(3,5-dichlorophenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?

The InChIKey is MKWBEZMGJJKXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H34F4N4.2C27H26F4N4.C26H26Cl2N4/c1-5-39(6-2)17-9-11-21(4)36-30-26-14-7-10-20(3)28(26)37-29(38-30)23-13-8-12-22(18-23)25-16-15-24(19-27(25)32)31(33,34)35;1-5-39(6-2)17-9-11-21(4)36-30-25-14-7-10-20(3)28(25)37-29(38-30)23-13-8-12-22(18-23)26-19-24(31(33,34)35)15-16-27(26)32;1-17-7-4-10-22-24(17)33-25(34-26(22)32-13-6-14-35(2)3)19-9-5-8-18(15-19)21-12-11-20(16-23(21)28)27(29,30)31;1-17-7-4-10-21-24(17)33-25(34-26(21)32-13-6-14-35(2)3)19-9-5-8-18(15-19)22-16-20(27(29,30)31)11-12-23(22)28;1-17-7-4-10-23-24(17)30-25(31-26(23)29-11-6-12-32(2)3)19-9-5-8-18(13-19)20-14-21(27)16-22(28)15-20/h2*7-8,10,12-16,18-19,21H,5-6,9,11,17H2,1-4H3,(H,36,37,38);2*4-5,7-12,15-16H,6,13-14H2,1-3H3,(H,32,33,34);4-5,7-10,13-16H,6,11-12H2,1-3H3,(H,29,30,31).

What are the key properties of N-[2-[3-(3,5-dichlorophenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?

N-[2-[3-(3,5-dichlorophenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 2507.74 g/mol, XLogP of 37.24, 41 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(3,5-dichlorophenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;N-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 159596117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).