3-azido-6-chloro-3-phenyl-1H-quinoline-2,4-dione

C15H9ClN4O2 — CID 592804

IUPAC3-azido-6-chloro-3-phenyl-1H-quinoline-2,4-dione
SMILES[N-]=[N+]=NC1(c2ccccc2)C(=O)Nc2ccc(Cl)cc2C1=O
InChIInChI=1S/C15H9ClN4O2/c16-10-6-7-12-11(8-10)13(21)15(19-20-17,14(22)18-12)9-4-2-1-3-5-9/h1-8H,(H,18,22)
InChIKeyDBJMLFAELXFJIO-UHFFFAOYSA-N
MW312.72 g/mol
LogP3.68
Rot. Bonds2

About 3-azido-6-chloro-3-phenyl-1H-quinoline-2,4-dione

3-azido-6-chloro-3-phenyl-1H-quinoline-2,4-dione (PubChem CID 592804) has the molecular formula C15H9ClN4O2 and a molecular weight of 312.72 g/mol. Its IUPAC name is 3-azido-6-chloro-3-phenyl-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name3-azido-6-chloro-3-phenyl-1H-quinoline-2,4-dione
PubChem CID592804
Molecular FormulaC15H9ClN4O2
Molecular Weight312.72 g/mol
Exact Mass312.04
IUPAC Name3-azido-6-chloro-3-phenyl-1H-quinoline-2,4-dione
SMILES[N-]=[N+]=NC1(c2ccccc2)C(=O)Nc2ccc(Cl)cc2C1=O
InChIInChI=1S/C15H9ClN4O2/c16-10-6-7-12-11(8-10)13(21)15(19-20-17,14(22)18-12)9-4-2-1-3-5-9/h1-8H,(H,18,22)
InChIKeyDBJMLFAELXFJIO-UHFFFAOYSA-N
XLogP3.68
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-azido-6-chloro-3-phenyl-1H-quinoline-2,4-dione?
The IUPAC name of 3-azido-6-chloro-3-phenyl-1H-quinoline-2,4-dione (CID 592804) is 3-azido-6-chloro-3-phenyl-1H-quinoline-2,4-dione.
What is the SMILES notation for 3-azido-6-chloro-3-phenyl-1H-quinoline-2,4-dione?
The canonical SMILES for 3-azido-6-chloro-3-phenyl-1H-quinoline-2,4-dione is [N-]=[N+]=NC1(c2ccccc2)C(=O)Nc2ccc(Cl)cc2C1=O.
What is the InChIKey of 3-azido-6-chloro-3-phenyl-1H-quinoline-2,4-dione?
The InChIKey is DBJMLFAELXFJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O2/c16-10-6-7-12-11(8-10)13(21)15(19-20-17,14(22)18-12)9-4-2-1-3-5-9/h1-8H,(H,18,22).
What are the key properties of 3-azido-6-chloro-3-phenyl-1H-quinoline-2,4-dione?
3-azido-6-chloro-3-phenyl-1H-quinoline-2,4-dione has a molecular weight of 312.72 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-6-chloro-3-phenyl-1H-quinoline-2,4-dione is sourced from PubChem (CID 592804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).