N-[2-(1-benzyl-5-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-(1-benzyl-6-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-fluoroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine

C121H125Br3Cl2F10N22 — CID 160949636

About N-[2-(1-benzyl-5-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-(1-benzyl-6-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-fluoroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine

N-[2-(1-benzyl-5-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-(1-benzyl-6-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-fluoroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 160949636) has the molecular formula C121H125Br3Cl2F10N22 and a molecular weight of 2388.08 g/mol. Its IUPAC name is N-[2-(1-benzyl-5-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-(1-benzyl-6-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-fluoroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

• Compound Name: N-[2-(1-benzyl-5-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-(1-benzyl-6-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-fluoroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
• PubChem CID: 160949636
• Molecular Formula: C121H125Br3Cl2F10N22
• Molecular Weight: 2388.08 g/mol
• Exact Mass: 2382.72
• IUPAC Name: N-[2-(1-benzyl-5-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-(1-benzyl-6-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-fluoroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
• SMILES: CN(C)CCCNc1nc(-c2cc(Br)cc(C(F)(F)F)c2)nc2c(F)cccc12.CNCCCN(C)c1nc(-c2cc(Br)cc(C(F)(F)F)c2)nc2c(C)cccc12.Cc1cccc2c(N(C)CCCN(C)C)nc(-c3cc(Br)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cn(Cc4ccccc4)c4cc(Cl)ccc34)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cn(Cc4ccccc4)c4ccc(Cl)cc34)nc12
• InChI: InChI=1S/2C29H30ClN5.C22H24BrF3N4.C21H22BrF3N4.C20H19BrF4N4/c1-20-9-7-12-24-27(20)32-29(33-28(24)31-15-8-16-34(2)3)25-19-35(18-21-10-5-4-6-11-21)26-17-22(30)13-14-23(25)26;1-20-9-7-12-23-27(20)32-29(33-28(23)31-15-8-16-34(2)3)25-19-35(18-21-10-5-4-6-11-21)26-14-13-22(30)17-24(25)26;1-14-7-5-8-18-19(14)27-20(28-21(18)30(4)10-6-9-29(2)3)15-11-16(22(24,25)26)13-17(23)12-15;1-13-6-4-7-17-18(13)27-19(28-20(17)29(3)9-5-8-26-2)14-10-15(21(23,24)25)12-16(22)11-14;1-29(2)8-4-7-26-19-15-5-3-6-16(22)17(15)27-18(28-19)12-9-13(20(23,24)25)11-14(21)10-12/h2*4-7,9-14,17,19H,8,15-16,18H2,1-3H3,(H,31,32,33);5,7-8,11-13H,6,9-10H2,1-4H3;4,6-7,10-12,26H,5,8-9H2,1-3H3;3,5-6,9-11H,4,7-8H2,1-2H3,(H,26,27,28)
• InChIKey: SVOSBYINPPHIHI-UHFFFAOYSA-N
• XLogP: 30.04
• TPSA: 206.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 34
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2388.08
LogP ≤ 5	30.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

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-5-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-(1-benzyl-6-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-fluoroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine?

The IUPAC name of N-[2-(1-benzyl-5-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-(1-benzyl-6-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-fluoroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine (CID 160949636) is N-[2-(1-benzyl-5-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-(1-benzyl-6-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-fluoroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine.

What is the SMILES notation for N-[2-(1-benzyl-5-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-(1-benzyl-6-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-fluoroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine?

The canonical SMILES for N-[2-(1-benzyl-5-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-(1-benzyl-6-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-fluoroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCNc1nc(-c2cc(Br)cc(C(F)(F)F)c2)nc2c(F)cccc12.CNCCCN(C)c1nc(-c2cc(Br)cc(C(F)(F)F)c2)nc2c(C)cccc12.Cc1cccc2c(N(C)CCCN(C)C)nc(-c3cc(Br)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cn(Cc4ccccc4)c4cc(Cl)ccc34)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cn(Cc4ccccc4)c4ccc(Cl)cc34)nc12.

What is the InChIKey of N-[2-(1-benzyl-5-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-(1-benzyl-6-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-fluoroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine?

The InChIKey is SVOSBYINPPHIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H30ClN5.C22H24BrF3N4.C21H22BrF3N4.C20H19BrF4N4/c1-20-9-7-12-24-27(20)32-29(33-28(24)31-15-8-16-34(2)3)25-19-35(18-21-10-5-4-6-11-21)26-17-22(30)13-14-23(25)26;1-20-9-7-12-23-27(20)32-29(33-28(23)31-15-8-16-34(2)3)25-19-35(18-21-10-5-4-6-11-21)26-14-13-22(30)17-24(25)26;1-14-7-5-8-18-19(14)27-20(28-21(18)30(4)10-6-9-29(2)3)15-11-16(22(24,25)26)13-17(23)12-15;1-13-6-4-7-17-18(13)27-19(28-20(17)29(3)9-5-8-26-2)14-10-15(21(23,24)25)12-16(22)11-14;1-29(2)8-4-7-26-19-15-5-3-6-16(22)17(15)27-18(28-19)12-9-13(20(23,24)25)11-14(21)10-12/h2*4-7,9-14,17,19H,8,15-16,18H2,1-3H3,(H,31,32,33);5,7-8,11-13H,6,9-10H2,1-4H3;4,6-7,10-12,26H,5,8-9H2,1-3H3;3,5-6,9-11H,4,7-8H2,1-2H3,(H,26,27,28).

What are the key properties of N-[2-(1-benzyl-5-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-(1-benzyl-6-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-fluoroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine?

N-[2-(1-benzyl-5-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-(1-benzyl-6-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-fluoroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 2388.08 g/mol, XLogP of 30.04, 34 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-benzyl-5-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-(1-benzyl-6-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-fluoroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 160949636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).