2-fluoro-7-piperazin-1-ylquinoline-3-carbonitrile

C14H13FN4 — CID 174718913

IUPAC2-fluoro-7-piperazin-1-ylquinoline-3-carbonitrile
SMILESN#Cc1cc2ccc(N3CCNCC3)cc2nc1F
InChIInChI=1S/C14H13FN4/c15-14-11(9-16)7-10-1-2-12(8-13(10)18-14)19-5-3-17-4-6-19/h1-2,7-8,17H,3-6H2
InChIKeyRIFRZNCCZMNFEV-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.66
Rot. Bonds1

About 2-fluoro-7-piperazin-1-ylquinoline-3-carbonitrile

2-fluoro-7-piperazin-1-ylquinoline-3-carbonitrile (PubChem CID 174718913) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-fluoro-7-piperazin-1-ylquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-fluoro-7-piperazin-1-ylquinoline-3-carbonitrile
PubChem CID174718913
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name2-fluoro-7-piperazin-1-ylquinoline-3-carbonitrile
SMILESN#Cc1cc2ccc(N3CCNCC3)cc2nc1F
InChIInChI=1S/C14H13FN4/c15-14-11(9-16)7-10-1-2-12(8-13(10)18-14)19-5-3-17-4-6-19/h1-2,7-8,17H,3-6H2
InChIKeyRIFRZNCCZMNFEV-UHFFFAOYSA-N
XLogP1.66
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-piperazin-1-ylquinoline-3-carbonitrile?
The IUPAC name of 2-fluoro-7-piperazin-1-ylquinoline-3-carbonitrile (CID 174718913) is 2-fluoro-7-piperazin-1-ylquinoline-3-carbonitrile.
What is the SMILES notation for 2-fluoro-7-piperazin-1-ylquinoline-3-carbonitrile?
The canonical SMILES for 2-fluoro-7-piperazin-1-ylquinoline-3-carbonitrile is N#Cc1cc2ccc(N3CCNCC3)cc2nc1F.
What is the InChIKey of 2-fluoro-7-piperazin-1-ylquinoline-3-carbonitrile?
The InChIKey is RIFRZNCCZMNFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c15-14-11(9-16)7-10-1-2-12(8-13(10)18-14)19-5-3-17-4-6-19/h1-2,7-8,17H,3-6H2.
What are the key properties of 2-fluoro-7-piperazin-1-ylquinoline-3-carbonitrile?
2-fluoro-7-piperazin-1-ylquinoline-3-carbonitrile has a molecular weight of 256.28 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-piperazin-1-ylquinoline-3-carbonitrile is sourced from PubChem (CID 174718913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).