6-(4-phenylpiperazin-1-yl)quinoline-5,8-dione

C19H17N3O2 — CID 66574354

IUPAC6-(4-phenylpiperazin-1-yl)quinoline-5,8-dione
SMILESO=C1C(N2CCN(c3ccccc3)CC2)=CC(=O)c2ncccc21
InChIInChI=1S/C19H17N3O2/c23-17-13-16(19(24)15-7-4-8-20-18(15)17)22-11-9-21(10-12-22)14-5-2-1-3-6-14/h1-8,13H,9-12H2
InChIKeyZFOONXIBICYIKV-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.17
Rot. Bonds2

About 6-(4-phenylpiperazin-1-yl)quinoline-5,8-dione

6-(4-phenylpiperazin-1-yl)quinoline-5,8-dione (PubChem CID 66574354) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 6-(4-phenylpiperazin-1-yl)quinoline-5,8-dione.

Molecular Properties

Compound Name6-(4-phenylpiperazin-1-yl)quinoline-5,8-dione
PubChem CID66574354
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name6-(4-phenylpiperazin-1-yl)quinoline-5,8-dione
SMILESO=C1C(N2CCN(c3ccccc3)CC2)=CC(=O)c2ncccc21
InChIInChI=1S/C19H17N3O2/c23-17-13-16(19(24)15-7-4-8-20-18(15)17)22-11-9-21(10-12-22)14-5-2-1-3-6-14/h1-8,13H,9-12H2
InChIKeyZFOONXIBICYIKV-UHFFFAOYSA-N
XLogP2.17
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylpiperazin-1-yl)quinoline-5,8-dione?
The IUPAC name of 6-(4-phenylpiperazin-1-yl)quinoline-5,8-dione (CID 66574354) is 6-(4-phenylpiperazin-1-yl)quinoline-5,8-dione.
What is the SMILES notation for 6-(4-phenylpiperazin-1-yl)quinoline-5,8-dione?
The canonical SMILES for 6-(4-phenylpiperazin-1-yl)quinoline-5,8-dione is O=C1C(N2CCN(c3ccccc3)CC2)=CC(=O)c2ncccc21.
What is the InChIKey of 6-(4-phenylpiperazin-1-yl)quinoline-5,8-dione?
The InChIKey is ZFOONXIBICYIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-17-13-16(19(24)15-7-4-8-20-18(15)17)22-11-9-21(10-12-22)14-5-2-1-3-6-14/h1-8,13H,9-12H2.
What are the key properties of 6-(4-phenylpiperazin-1-yl)quinoline-5,8-dione?
6-(4-phenylpiperazin-1-yl)quinoline-5,8-dione has a molecular weight of 319.36 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpiperazin-1-yl)quinoline-5,8-dione is sourced from PubChem (CID 66574354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).