6-bromo-7H-purine;1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethanamine;N-[(1S)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine)

C110H81BrCl5F5N30 — CID 157432176

About 6-bromo-7H-purine;1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethanamine;N-[(1S)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine)

6-bromo-7H-purine;1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethanamine;N-[(1S)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine) (PubChem CID 157432176) has the molecular formula C110H81BrCl5F5N30 and a molecular weight of 2175.23 g/mol. Its IUPAC name is 6-bromo-7H-purine;1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethanamine;N-[(1S)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine).

Molecular Properties

• Compound Name: 6-bromo-7H-purine;1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethanamine;N-[(1S)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine)
• PubChem CID: 157432176
• Molecular Formula: C110H81BrCl5F5N30
• Molecular Weight: 2175.23 g/mol
• Exact Mass: 2170.48
• IUPAC Name: 6-bromo-7H-purine;1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethanamine;N-[(1S)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine)
• SMILES: Brc1ncnc2nc[nH]c12.CC(N)c1cc2ccc(F)cc2nc1-c1ccccc1Cl.CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccc1Cl.CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccc1Cl.C[C@@H](Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccc1Cl.C[C@H](Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccc1Cl
• InChI: InChI=1S/4C22H16ClFN6.C17H14ClFN2.C5H3BrN4/c4*1-12(29-22-20-21(26-10-25-20)27-11-28-22)16-8-13-6-7-14(24)9-18(13)30-19(16)15-4-2-3-5-17(15)23;1-10(20)14-8-11-6-7-12(19)9-16(11)21-17(14)13-4-2-3-5-15(13)18;6-4-3-5(9-1-7-3)10-2-8-4/h4*2-12H,1H3,(H2,25,26,27,28,29);2-10H,20H2,1H3;1-2H,(H,7,8,9,10)/t2*12-;;;;/m10..../s1
• InChIKey: BQRCDYGEUMXRAU-DOFCAIOBSA-N
• XLogP: 27.96
• TPSA: 410.89 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2175.23
LogP ≤ 5	27.96
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7H-purine;1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethanamine;N-[(1S)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine)?

The IUPAC name of 6-bromo-7H-purine;1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethanamine;N-[(1S)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine) (CID 157432176) is 6-bromo-7H-purine;1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethanamine;N-[(1S)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine).

What is the SMILES notation for 6-bromo-7H-purine;1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethanamine;N-[(1S)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine)?

The canonical SMILES for 6-bromo-7H-purine;1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethanamine;N-[(1S)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine) is Brc1ncnc2nc[nH]c12.CC(N)c1cc2ccc(F)cc2nc1-c1ccccc1Cl.CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccc1Cl.CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccc1Cl.C[C@@H](Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccc1Cl.C[C@H](Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccc1Cl.

What is the InChIKey of 6-bromo-7H-purine;1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethanamine;N-[(1S)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine)?

The InChIKey is BQRCDYGEUMXRAU-DOFCAIOBSA-N. The full InChI is InChI=1S/4C22H16ClFN6.C17H14ClFN2.C5H3BrN4/c4*1-12(29-22-20-21(26-10-25-20)27-11-28-22)16-8-13-6-7-14(24)9-18(13)30-19(16)15-4-2-3-5-17(15)23;1-10(20)14-8-11-6-7-12(19)9-16(11)21-17(14)13-4-2-3-5-15(13)18;6-4-3-5(9-1-7-3)10-2-8-4/h4*2-12H,1H3,(H2,25,26,27,28,29);2-10H,20H2,1H3;1-2H,(H,7,8,9,10)/t2*12-;;;;/m10..../s1.

What are the key properties of 6-bromo-7H-purine;1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethanamine;N-[(1S)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine)?

6-bromo-7H-purine;1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethanamine;N-[(1S)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine) has a molecular weight of 2175.23 g/mol, XLogP of 27.96, 18 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-7H-purine;1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethanamine;N-[(1S)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine) is sourced from PubChem (CID 157432176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).