N-[8-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine

C40H38Br3ClF6N8 — CID 145099357

About N-[8-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine

N-[8-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 145099357) has the molecular formula C40H38Br3ClF6N8 and a molecular weight of 1019.95 g/mol. Its IUPAC name is N-[8-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

• Compound Name: N-[8-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
• PubChem CID: 145099357
• Molecular Formula: C40H38Br3ClF6N8
• Molecular Weight: 1019.95 g/mol
• Exact Mass: 1016.04
• IUPAC Name: N-[8-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
• SMILES: CN(C)CCCNc1nc(-c2cc(Br)cc(C(F)(F)F)c2)nc2c(Br)cccc12.CN(C)CCCNc1nc(-c2cc(Br)cc(C(F)(F)F)c2)nc2c(Cl)cccc12
• InChI: InChI=1S/C20H19Br2F3N4.C20H19BrClF3N4/c2*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*3,5-6,9-11H,4,7-8H2,1-2H3,(H,26,27,28)
• InChIKey: WVHAITYCPVRKPR-UHFFFAOYSA-N
• XLogP: 12.30
• TPSA: 82.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1019.95
LogP ≤ 5	12.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[8-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?

The IUPAC name of N-[8-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine (CID 145099357) is N-[8-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

What is the SMILES notation for N-[8-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?

The canonical SMILES for N-[8-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1nc(-c2cc(Br)cc(C(F)(F)F)c2)nc2c(Br)cccc12.CN(C)CCCNc1nc(-c2cc(Br)cc(C(F)(F)F)c2)nc2c(Cl)cccc12.

What is the InChIKey of N-[8-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?

The InChIKey is WVHAITYCPVRKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Br2F3N4.C20H19BrClF3N4/c2*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*3,5-6,9-11H,4,7-8H2,1-2H3,(H,26,27,28).

What are the key properties of N-[8-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?

N-[8-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 1019.95 g/mol, XLogP of 12.30, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 145099357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).