7-methoxyquinazoline-4,6-dione

C9H6N2O3 — CID 45074624

IUPAC7-methoxyquinazoline-4,6-dione
SMILESCOC1=CC2=NC=NC(=O)C2=CC1=O
InChIInChI=1S/C9H6N2O3/c1-14-8-3-6-5(2-7(8)12)9(13)11-4-10-6/h2-4H,1H3
InChIKeyJEALDARGRJWUPG-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.04
Rot. Bonds1

About 7-methoxyquinazoline-4,6-dione

7-methoxyquinazoline-4,6-dione (PubChem CID 45074624) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 7-methoxyquinazoline-4,6-dione.

Molecular Properties

Compound Name7-methoxyquinazoline-4,6-dione
PubChem CID45074624
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name7-methoxyquinazoline-4,6-dione
SMILESCOC1=CC2=NC=NC(=O)C2=CC1=O
InChIInChI=1S/C9H6N2O3/c1-14-8-3-6-5(2-7(8)12)9(13)11-4-10-6/h2-4H,1H3
InChIKeyJEALDARGRJWUPG-UHFFFAOYSA-N
XLogP0.04
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

Quinazoline-4,6-dione
CID 54272177
7-methoxy-5-propoxy-6H-quinazolin-4-one
CID 91507353
2-ethoxy-N-(4-oxoquinazolin-6-ylidene)butanamide
CID 133568122

Frequently Asked Questions

What is the IUPAC name of 7-methoxyquinazoline-4,6-dione?
The IUPAC name of 7-methoxyquinazoline-4,6-dione (CID 45074624) is 7-methoxyquinazoline-4,6-dione.
What is the SMILES notation for 7-methoxyquinazoline-4,6-dione?
The canonical SMILES for 7-methoxyquinazoline-4,6-dione is COC1=CC2=NC=NC(=O)C2=CC1=O.
What is the InChIKey of 7-methoxyquinazoline-4,6-dione?
The InChIKey is JEALDARGRJWUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c1-14-8-3-6-5(2-7(8)12)9(13)11-4-10-6/h2-4H,1H3.
What are the key properties of 7-methoxyquinazoline-4,6-dione?
7-methoxyquinazoline-4,6-dione has a molecular weight of 190.16 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyquinazoline-4,6-dione is sourced from PubChem (CID 45074624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).