8-(2-fluorophenyl)-2-piperazin-1-ylquinoline

C19H18FN3 — CID 24733636

IUPAC8-(2-fluorophenyl)-2-piperazin-1-ylquinoline
SMILESFc1ccccc1-c1cccc2ccc(N3CCNCC3)nc12
InChIInChI=1S/C19H18FN3/c20-17-7-2-1-5-15(17)16-6-3-4-14-8-9-18(22-19(14)16)23-12-10-21-11-13-23/h1-9,21H,10-13H2
InChIKeyXVECKDWUEFNWAO-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.45
Rot. Bonds2

About 8-(2-fluorophenyl)-2-piperazin-1-ylquinoline

8-(2-fluorophenyl)-2-piperazin-1-ylquinoline (PubChem CID 24733636) has the molecular formula C19H18FN3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-2-piperazin-1-ylquinoline.

Molecular Properties

Compound Name8-(2-fluorophenyl)-2-piperazin-1-ylquinoline
PubChem CID24733636
Molecular FormulaC19H18FN3
Molecular Weight307.37 g/mol
Exact Mass307.15
IUPAC Name8-(2-fluorophenyl)-2-piperazin-1-ylquinoline
SMILESFc1ccccc1-c1cccc2ccc(N3CCNCC3)nc12
InChIInChI=1S/C19H18FN3/c20-17-7-2-1-5-15(17)16-6-3-4-14-8-9-18(22-19(14)16)23-12-10-21-11-13-23/h1-9,21H,10-13H2
InChIKeyXVECKDWUEFNWAO-UHFFFAOYSA-N
XLogP3.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-2-piperazin-1-ylquinoline?
The IUPAC name of 8-(2-fluorophenyl)-2-piperazin-1-ylquinoline (CID 24733636) is 8-(2-fluorophenyl)-2-piperazin-1-ylquinoline.
What is the SMILES notation for 8-(2-fluorophenyl)-2-piperazin-1-ylquinoline?
The canonical SMILES for 8-(2-fluorophenyl)-2-piperazin-1-ylquinoline is Fc1ccccc1-c1cccc2ccc(N3CCNCC3)nc12.
What is the InChIKey of 8-(2-fluorophenyl)-2-piperazin-1-ylquinoline?
The InChIKey is XVECKDWUEFNWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3/c20-17-7-2-1-5-15(17)16-6-3-4-14-8-9-18(22-19(14)16)23-12-10-21-11-13-23/h1-9,21H,10-13H2.
What are the key properties of 8-(2-fluorophenyl)-2-piperazin-1-ylquinoline?
8-(2-fluorophenyl)-2-piperazin-1-ylquinoline has a molecular weight of 307.37 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-2-piperazin-1-ylquinoline is sourced from PubChem (CID 24733636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).