6-anilinoquinoline-5,8-dione

C15H10N2O2 — CID 3976

IUPAC6-anilinoquinoline-5,8-dione
SMILESO=C1C(Nc2ccccc2)=CC(=O)c2ncccc21
InChIInChI=1S/C15H10N2O2/c18-13-9-12(17-10-5-2-1-3-6-10)15(19)11-7-4-8-16-14(11)13/h1-9,17H
InChIKeyGXIJYWUWLNHKNW-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.46
Rot. Bonds2

About 6-anilinoquinoline-5,8-dione

6-anilinoquinoline-5,8-dione (PubChem CID 3976) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 6-anilinoquinoline-5,8-dione.

Molecular Properties

Compound Name6-anilinoquinoline-5,8-dione
PubChem CID3976
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name6-anilinoquinoline-5,8-dione
SMILESO=C1C(Nc2ccccc2)=CC(=O)c2ncccc21
InChIInChI=1S/C15H10N2O2/c18-13-9-12(17-10-5-2-1-3-6-10)15(19)11-7-4-8-16-14(11)13/h1-9,17H
InChIKeyGXIJYWUWLNHKNW-UHFFFAOYSA-N
XLogP2.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,7-Phenanthroline-5,6-dione
CID 6764
Phenyl-3-pyridinylmethanone
CID 21540
2-Benzoylpyridine
CID 7038
Phenyl(1H-pyrrol-2-YL)methanone
CID 24370
3-Acetyl-6-methylpyridine
CID 95292
2-Acetyl-4-methylpyridine
CID 564760
DA-3003-1
CID 379077
Nicotinanilide
CID 74463
Ethanedione, di-3-pyridinyl-
CID 260384
N-(3-(trifluoromethyl)phenyl)pyridine-2-carboxamide
CID 2306530
Indole-4,7-dione
CID 152300
7-Amino-2-(pyridin-2-yl)quinoline-5,8-dione
CID 21771691

Frequently Asked Questions

What is the IUPAC name of 6-anilinoquinoline-5,8-dione?
The IUPAC name of 6-anilinoquinoline-5,8-dione (CID 3976) is 6-anilinoquinoline-5,8-dione.
What is the SMILES notation for 6-anilinoquinoline-5,8-dione?
The canonical SMILES for 6-anilinoquinoline-5,8-dione is O=C1C(Nc2ccccc2)=CC(=O)c2ncccc21.
What is the InChIKey of 6-anilinoquinoline-5,8-dione?
The InChIKey is GXIJYWUWLNHKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c18-13-9-12(17-10-5-2-1-3-6-10)15(19)11-7-4-8-16-14(11)13/h1-9,17H.
What are the key properties of 6-anilinoquinoline-5,8-dione?
6-anilinoquinoline-5,8-dione has a molecular weight of 250.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilinoquinoline-5,8-dione is sourced from PubChem (CID 3976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).