4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile

C20H17FN4 — CID 78885767

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H17FN4/c21-16-5-7-17(8-6-16)24-9-11-25(12-10-24)20-15(13-22)14-23-19-4-2-1-3-18(19)20/h1-8,14H,9-12H2
InChIKeyBVTZFCQFXHHGID-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.57
Rot. Bonds2

About 4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile

4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile (PubChem CID 78885767) has the molecular formula C20H17FN4 and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile
PubChem CID78885767
Molecular FormulaC20H17FN4
Molecular Weight332.38 g/mol
Exact Mass332.14
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H17FN4/c21-16-5-7-17(8-6-16)24-9-11-25(12-10-24)20-15(13-22)14-23-19-4-2-1-3-18(19)20/h1-8,14H,9-12H2
InChIKeyBVTZFCQFXHHGID-UHFFFAOYSA-N
XLogP3.57
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile (CID 78885767) is 4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile?
The InChIKey is BVTZFCQFXHHGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4/c21-16-5-7-17(8-6-16)24-9-11-25(12-10-24)20-15(13-22)14-23-19-4-2-1-3-18(19)20/h1-8,14H,9-12H2.
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile?
4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile has a molecular weight of 332.38 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 78885767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).