1-[4-(3-ethyl-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine

C28H28N4 — CID 160935356

About 1-[4-(3-ethyl-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine

1-[4-(3-ethyl-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine (PubChem CID 160935356) has the molecular formula C28H28N4 and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-[4-(3-ethyl-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

• Compound Name: 1-[4-(3-ethyl-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine
• PubChem CID: 160935356
• Molecular Formula: C28H28N4
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.23
• IUPAC Name: 1-[4-(3-ethyl-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine
• SMILES: CCc1[nH]nc2c1CCc1nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)cc1-2
• InChI: InChI=1S/C28H28N4/c1-2-24-21-13-14-25-23(27(21)32-31-24)17-22(18-7-4-3-5-8-18)26(30-25)19-9-11-20(12-10-19)28(29)15-6-16-28/h3-5,7-12,17H,2,6,13-16,29H2,1H3,(H,31,32)
• InChIKey: STUOGERPRGBJNJ-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 67.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethyl-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine?

The IUPAC name of 1-[4-(3-ethyl-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine (CID 160935356) is 1-[4-(3-ethyl-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine.

What is the SMILES notation for 1-[4-(3-ethyl-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine?

The canonical SMILES for 1-[4-(3-ethyl-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine is CCc1[nH]nc2c1CCc1nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)cc1-2.

What is the InChIKey of 1-[4-(3-ethyl-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine?

The InChIKey is STUOGERPRGBJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4/c1-2-24-21-13-14-25-23(27(21)32-31-24)17-22(18-7-4-3-5-8-18)26(30-25)19-9-11-20(12-10-19)28(29)15-6-16-28/h3-5,7-12,17H,2,6,13-16,29H2,1H3,(H,31,32).

What are the key properties of 1-[4-(3-ethyl-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine?

1-[4-(3-ethyl-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine has a molecular weight of 420.56 g/mol, XLogP of 5.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-ethyl-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 160935356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).