2-(4-quinolin-4-ylpiperazin-1-yl)acetonitrile

C15H16N4 — CID 63337323

IUPAC2-(4-quinolin-4-ylpiperazin-1-yl)acetonitrile
SMILESN#CCN1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C15H16N4/c16-6-8-18-9-11-19(12-10-18)15-5-7-17-14-4-2-1-3-13(14)15/h1-5,7H,8-12H2
InChIKeyDOWBNAULVJLQTB-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.88
Rot. Bonds2

About 2-(4-quinolin-4-ylpiperazin-1-yl)acetonitrile

2-(4-quinolin-4-ylpiperazin-1-yl)acetonitrile (PubChem CID 63337323) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(4-quinolin-4-ylpiperazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-quinolin-4-ylpiperazin-1-yl)acetonitrile
PubChem CID63337323
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-(4-quinolin-4-ylpiperazin-1-yl)acetonitrile
SMILESN#CCN1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C15H16N4/c16-6-8-18-9-11-19(12-10-18)15-5-7-17-14-4-2-1-3-13(14)15/h1-5,7H,8-12H2
InChIKeyDOWBNAULVJLQTB-UHFFFAOYSA-N
XLogP1.88
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-quinolin-4-ylpiperazin-1-yl)acetonitrile?
The IUPAC name of 2-(4-quinolin-4-ylpiperazin-1-yl)acetonitrile (CID 63337323) is 2-(4-quinolin-4-ylpiperazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-quinolin-4-ylpiperazin-1-yl)acetonitrile?
The canonical SMILES for 2-(4-quinolin-4-ylpiperazin-1-yl)acetonitrile is N#CCN1CCN(c2ccnc3ccccc23)CC1.
What is the InChIKey of 2-(4-quinolin-4-ylpiperazin-1-yl)acetonitrile?
The InChIKey is DOWBNAULVJLQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c16-6-8-18-9-11-19(12-10-18)15-5-7-17-14-4-2-1-3-13(14)15/h1-5,7H,8-12H2.
What are the key properties of 2-(4-quinolin-4-ylpiperazin-1-yl)acetonitrile?
2-(4-quinolin-4-ylpiperazin-1-yl)acetonitrile has a molecular weight of 252.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-quinolin-4-ylpiperazin-1-yl)acetonitrile is sourced from PubChem (CID 63337323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).