8-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

C19H18Cl2N4O — CID 167396104

About 8-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 167396104) has the molecular formula C19H18Cl2N4O and a molecular weight of 389.29 g/mol. Its IUPAC name is 8-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

• Compound Name: 8-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
• PubChem CID: 167396104
• Molecular Formula: C19H18Cl2N4O
• Molecular Weight: 389.29 g/mol
• Exact Mass: 388.09
• IUPAC Name: 8-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
• SMILES: OC1CC2CCC(C1)N2c1cc(-n2ccnc2)c2ccc(Cl)c(Cl)c2n1
• InChI: InChI=1S/C19H18Cl2N4O/c20-15-4-3-14-16(24-6-5-22-10-24)9-17(23-19(14)18(15)21)25-11-1-2-12(25)8-13(26)7-11/h3-6,9-13,26H,1-2,7-8H2
• InChIKey: QFKSBJNKYPIKLA-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 54.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.29
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?

The IUPAC name of 8-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 167396104) is 8-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.

What is the SMILES notation for 8-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?

The canonical SMILES for 8-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2c1cc(-n2ccnc2)c2ccc(Cl)c(Cl)c2n1.

What is the InChIKey of 8-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?

The InChIKey is QFKSBJNKYPIKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O/c20-15-4-3-14-16(24-6-5-22-10-24)9-17(23-19(14)18(15)21)25-11-1-2-12(25)8-13(26)7-11/h3-6,9-13,26H,1-2,7-8H2.

What are the key properties of 8-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?

8-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 389.29 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 167396104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).