6-piperazin-1-yl-3,4-dihydro-1H-quinolin-2-one

C13H17N3O — CID 11117896

IUPAC6-piperazin-1-yl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(N3CCNCC3)ccc2N1
InChIInChI=1S/C13H17N3O/c17-13-4-1-10-9-11(2-3-12(10)15-13)16-7-5-14-6-8-16/h2-3,9,14H,1,4-8H2,(H,15,17)
InChIKeyFSQOWYCPSKDQHL-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.98
Rot. Bonds1

About 6-piperazin-1-yl-3,4-dihydro-1H-quinolin-2-one

6-piperazin-1-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 11117896) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-piperazin-1-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-piperazin-1-yl-3,4-dihydro-1H-quinolin-2-one
PubChem CID11117896
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name6-piperazin-1-yl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(N3CCNCC3)ccc2N1
InChIInChI=1S/C13H17N3O/c17-13-4-1-10-9-11(2-3-12(10)15-13)16-7-5-14-6-8-16/h2-3,9,14H,1,4-8H2,(H,15,17)
InChIKeyFSQOWYCPSKDQHL-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-piperazin-1-yl-3,4-dihydro-1H-quinolin-2-one (CID 11117896) is 6-piperazin-1-yl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-piperazin-1-yl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-piperazin-1-yl-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(N3CCNCC3)ccc2N1.
What is the InChIKey of 6-piperazin-1-yl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FSQOWYCPSKDQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-13-4-1-10-9-11(2-3-12(10)15-13)16-7-5-14-6-8-16/h2-3,9,14H,1,4-8H2,(H,15,17).
What are the key properties of 6-piperazin-1-yl-3,4-dihydro-1H-quinolin-2-one?
6-piperazin-1-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 231.30 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 11117896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).