2-(4-fluorophenyl)-6-imidazol-1-ylquinoline;dihydrochloride

C18H14Cl2FN3 — CID 67205541

IUPAC2-(4-fluorophenyl)-6-imidazol-1-ylquinoline;dihydrochloride
SMILESCl.Cl.Fc1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1
InChIInChI=1S/C18H12FN3.2ClH/c19-15-4-1-13(2-5-15)17-7-3-14-11-16(6-8-18(14)21-17)22-10-9-20-12-22;;/h1-12H;2*1H
InChIKeyZGXWRANNZBJEGN-UHFFFAOYSA-N
MW362.24 g/mol
LogP5.07
Rot. Bonds2

About 2-(4-fluorophenyl)-6-imidazol-1-ylquinoline;dihydrochloride

2-(4-fluorophenyl)-6-imidazol-1-ylquinoline;dihydrochloride (PubChem CID 67205541) has the molecular formula C18H14Cl2FN3 and a molecular weight of 362.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-imidazol-1-ylquinoline;dihydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-imidazol-1-ylquinoline;dihydrochloride
PubChem CID67205541
Molecular FormulaC18H14Cl2FN3
Molecular Weight362.24 g/mol
Exact Mass361.05
IUPAC Name2-(4-fluorophenyl)-6-imidazol-1-ylquinoline;dihydrochloride
SMILESCl.Cl.Fc1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1
InChIInChI=1S/C18H12FN3.2ClH/c19-15-4-1-13(2-5-15)17-7-3-14-11-16(6-8-18(14)21-17)22-10-9-20-12-22;;/h1-12H;2*1H
InChIKeyZGXWRANNZBJEGN-UHFFFAOYSA-N
XLogP5.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.24
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-imidazol-1-ylquinoline;dihydrochloride?
The IUPAC name of 2-(4-fluorophenyl)-6-imidazol-1-ylquinoline;dihydrochloride (CID 67205541) is 2-(4-fluorophenyl)-6-imidazol-1-ylquinoline;dihydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)-6-imidazol-1-ylquinoline;dihydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)-6-imidazol-1-ylquinoline;dihydrochloride is Cl.Cl.Fc1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-imidazol-1-ylquinoline;dihydrochloride?
The InChIKey is ZGXWRANNZBJEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3.2ClH/c19-15-4-1-13(2-5-15)17-7-3-14-11-16(6-8-18(14)21-17)22-10-9-20-12-22;;/h1-12H;2*1H.
What are the key properties of 2-(4-fluorophenyl)-6-imidazol-1-ylquinoline;dihydrochloride?
2-(4-fluorophenyl)-6-imidazol-1-ylquinoline;dihydrochloride has a molecular weight of 362.24 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-imidazol-1-ylquinoline;dihydrochloride is sourced from PubChem (CID 67205541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).