6-anilinoquinazoline-5,8-dione

C14H9N3O2 — CID 11776927

IUPAC6-anilinoquinazoline-5,8-dione
SMILESO=C1C(Nc2ccccc2)=CC(=O)c2ncncc21
InChIInChI=1S/C14H9N3O2/c18-12-6-11(17-9-4-2-1-3-5-9)14(19)10-7-15-8-16-13(10)12/h1-8,17H
InChIKeyGKJHAQRXFWAHLL-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.85
Rot. Bonds2

About 6-anilinoquinazoline-5,8-dione

6-anilinoquinazoline-5,8-dione (PubChem CID 11776927) has the molecular formula C14H9N3O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 6-anilinoquinazoline-5,8-dione.

Molecular Properties

Compound Name6-anilinoquinazoline-5,8-dione
PubChem CID11776927
Molecular FormulaC14H9N3O2
Molecular Weight251.25 g/mol
Exact Mass251.07
IUPAC Name6-anilinoquinazoline-5,8-dione
SMILESO=C1C(Nc2ccccc2)=CC(=O)c2ncncc21
InChIInChI=1S/C14H9N3O2/c18-12-6-11(17-9-4-2-1-3-5-9)14(19)10-7-15-8-16-13(10)12/h1-8,17H
InChIKeyGKJHAQRXFWAHLL-UHFFFAOYSA-N
XLogP1.85
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
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-anilinoquinazoline-5,8-dione?
The IUPAC name of 6-anilinoquinazoline-5,8-dione (CID 11776927) is 6-anilinoquinazoline-5,8-dione.
What is the SMILES notation for 6-anilinoquinazoline-5,8-dione?
The canonical SMILES for 6-anilinoquinazoline-5,8-dione is O=C1C(Nc2ccccc2)=CC(=O)c2ncncc21.
What is the InChIKey of 6-anilinoquinazoline-5,8-dione?
The InChIKey is GKJHAQRXFWAHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2/c18-12-6-11(17-9-4-2-1-3-5-9)14(19)10-7-15-8-16-13(10)12/h1-8,17H.
What are the key properties of 6-anilinoquinazoline-5,8-dione?
6-anilinoquinazoline-5,8-dione has a molecular weight of 251.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilinoquinazoline-5,8-dione is sourced from PubChem (CID 11776927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).