3-diazo-1-phenylquinoline-2,4-dione

C15H9N3O2 — CID 142772637

IUPAC3-diazo-1-phenylquinoline-2,4-dione
SMILES[N-]=[N+]=C1C(=O)c2ccccc2N(c2ccccc2)C1=O
InChIInChI=1S/C15H9N3O2/c16-17-13-14(19)11-8-4-5-9-12(11)18(15(13)20)10-6-2-1-3-7-10/h1-9H
InChIKeyBOMAEJXZDLOPGC-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.22
Rot. Bonds1

About 3-diazo-1-phenylquinoline-2,4-dione

3-diazo-1-phenylquinoline-2,4-dione (PubChem CID 142772637) has the molecular formula C15H9N3O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-diazo-1-phenylquinoline-2,4-dione.

Molecular Properties

Compound Name3-diazo-1-phenylquinoline-2,4-dione
PubChem CID142772637
Molecular FormulaC15H9N3O2
Molecular Weight263.26 g/mol
Exact Mass263.07
IUPAC Name3-diazo-1-phenylquinoline-2,4-dione
SMILES[N-]=[N+]=C1C(=O)c2ccccc2N(c2ccccc2)C1=O
InChIInChI=1S/C15H9N3O2/c16-17-13-14(19)11-8-4-5-9-12(11)18(15(13)20)10-6-2-1-3-7-10/h1-9H
InChIKeyBOMAEJXZDLOPGC-UHFFFAOYSA-N
XLogP2.22
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-diazo-1-phenylquinoline-2,4-dione?
The IUPAC name of 3-diazo-1-phenylquinoline-2,4-dione (CID 142772637) is 3-diazo-1-phenylquinoline-2,4-dione.
What is the SMILES notation for 3-diazo-1-phenylquinoline-2,4-dione?
The canonical SMILES for 3-diazo-1-phenylquinoline-2,4-dione is [N-]=[N+]=C1C(=O)c2ccccc2N(c2ccccc2)C1=O.
What is the InChIKey of 3-diazo-1-phenylquinoline-2,4-dione?
The InChIKey is BOMAEJXZDLOPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2/c16-17-13-14(19)11-8-4-5-9-12(11)18(15(13)20)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 3-diazo-1-phenylquinoline-2,4-dione?
3-diazo-1-phenylquinoline-2,4-dione has a molecular weight of 263.26 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazo-1-phenylquinoline-2,4-dione is sourced from PubChem (CID 142772637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).