4aH-quinazoline-2,4-dione

C8H6N2O2 — CID 172828202

IUPAC4aH-quinazoline-2,4-dione
SMILESO=C1N=C2C=CC=CC2C(=O)N1
InChIInChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-5H,(H,10,11,12)
InChIKeyMYFMEFVNOOBEQJ-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.42
Rot. Bonds

About 4aH-quinazoline-2,4-dione

4aH-quinazoline-2,4-dione (PubChem CID 172828202) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 4aH-quinazoline-2,4-dione.

Molecular Properties

Compound Name4aH-quinazoline-2,4-dione
PubChem CID172828202
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name4aH-quinazoline-2,4-dione
SMILESO=C1N=C2C=CC=CC2C(=O)N1
InChIInChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-5H,(H,10,11,12)
InChIKeyMYFMEFVNOOBEQJ-UHFFFAOYSA-N
XLogP0.42
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4aH-quinazoline-2,4-dione?
The IUPAC name of 4aH-quinazoline-2,4-dione (CID 172828202) is 4aH-quinazoline-2,4-dione.
What is the SMILES notation for 4aH-quinazoline-2,4-dione?
The canonical SMILES for 4aH-quinazoline-2,4-dione is O=C1N=C2C=CC=CC2C(=O)N1.
What is the InChIKey of 4aH-quinazoline-2,4-dione?
The InChIKey is MYFMEFVNOOBEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-5H,(H,10,11,12).
What are the key properties of 4aH-quinazoline-2,4-dione?
4aH-quinazoline-2,4-dione has a molecular weight of 162.15 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4aH-quinazoline-2,4-dione is sourced from PubChem (CID 172828202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).