7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline

C16H13Cl2FN4 — CID 174164707

IUPAC7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline
SMILESF[C@@H]1CCN(c2cc(-n3ccnc3)c3ccc(Cl)c(Cl)c3n2)C1
InChIInChI=1S/C16H13Cl2FN4/c17-12-2-1-11-13(23-6-4-20-9-23)7-14(21-16(11)15(12)18)22-5-3-10(19)8-22/h1-2,4,6-7,9-10H,3,5,8H2/t10-/m1/s1
InChIKeyHXNXHASXEPJGBT-SNVBAGLBSA-N
MW351.21 g/mol
LogP4.28
Rot. Bonds2

About 7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline

7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline (PubChem CID 174164707) has the molecular formula C16H13Cl2FN4 and a molecular weight of 351.21 g/mol. Its IUPAC name is 7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline.

Molecular Properties

Compound Name7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline
PubChem CID174164707
Molecular FormulaC16H13Cl2FN4
Molecular Weight351.21 g/mol
Exact Mass350.05
IUPAC Name7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline
SMILESF[C@@H]1CCN(c2cc(-n3ccnc3)c3ccc(Cl)c(Cl)c3n2)C1
InChIInChI=1S/C16H13Cl2FN4/c17-12-2-1-11-13(23-6-4-20-9-23)7-14(21-16(11)15(12)18)22-5-3-10(19)8-22/h1-2,4,6-7,9-10H,3,5,8H2/t10-/m1/s1
InChIKeyHXNXHASXEPJGBT-SNVBAGLBSA-N
XLogP4.28
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline?
The IUPAC name of 7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline (CID 174164707) is 7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline.
What is the SMILES notation for 7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline?
The canonical SMILES for 7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline is F[C@@H]1CCN(c2cc(-n3ccnc3)c3ccc(Cl)c(Cl)c3n2)C1.
What is the InChIKey of 7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline?
The InChIKey is HXNXHASXEPJGBT-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H13Cl2FN4/c17-12-2-1-11-13(23-6-4-20-9-23)7-14(21-16(11)15(12)18)22-5-3-10(19)8-22/h1-2,4,6-7,9-10H,3,5,8H2/t10-/m1/s1.
What are the key properties of 7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline?
7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline has a molecular weight of 351.21 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline is sourced from PubChem (CID 174164707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).