7-anilinoisoquinoline-5,8-dione

C15H10N2O2 — CID 10014990

IUPAC7-anilinoisoquinoline-5,8-dione
SMILESO=C1C=C(Nc2ccccc2)C(=O)c2cnccc21
InChIInChI=1S/C15H10N2O2/c18-14-8-13(17-10-4-2-1-3-5-10)15(19)12-9-16-7-6-11(12)14/h1-9,17H
InChIKeySPJOZQMMZMGUDY-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.46
Rot. Bonds2

About 7-anilinoisoquinoline-5,8-dione

7-anilinoisoquinoline-5,8-dione (PubChem CID 10014990) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 7-anilinoisoquinoline-5,8-dione.

Molecular Properties

Compound Name7-anilinoisoquinoline-5,8-dione
PubChem CID10014990
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name7-anilinoisoquinoline-5,8-dione
SMILESO=C1C=C(Nc2ccccc2)C(=O)c2cnccc21
InChIInChI=1S/C15H10N2O2/c18-14-8-13(17-10-4-2-1-3-5-10)15(19)12-9-16-7-6-11(12)14/h1-9,17H
InChIKeySPJOZQMMZMGUDY-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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Frequently Asked Questions

What is the IUPAC name of 7-anilinoisoquinoline-5,8-dione?
The IUPAC name of 7-anilinoisoquinoline-5,8-dione (CID 10014990) is 7-anilinoisoquinoline-5,8-dione.
What is the SMILES notation for 7-anilinoisoquinoline-5,8-dione?
The canonical SMILES for 7-anilinoisoquinoline-5,8-dione is O=C1C=C(Nc2ccccc2)C(=O)c2cnccc21.
What is the InChIKey of 7-anilinoisoquinoline-5,8-dione?
The InChIKey is SPJOZQMMZMGUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c18-14-8-13(17-10-4-2-1-3-5-10)15(19)12-9-16-7-6-11(12)14/h1-9,17H.
What are the key properties of 7-anilinoisoquinoline-5,8-dione?
7-anilinoisoquinoline-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 7-anilinoisoquinoline-5,8-dione is sourced from PubChem (CID 10014990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).