5-methyl-1H-quinazoline-2,4-dione

C9H8N2O2 — CID 14087862

IUPAC5-methyl-1H-quinazoline-2,4-dione
SMILESCc1cccc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C9H8N2O2/c1-5-3-2-4-6-7(5)8(12)11-9(13)10-6/h2-4H,1H3,(H2,10,11,12,13)
InChIKeyOVLVVBLYTQYCCS-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.52
Rot. Bonds

About 5-methyl-1H-quinazoline-2,4-dione

5-methyl-1H-quinazoline-2,4-dione (PubChem CID 14087862) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-methyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5-methyl-1H-quinazoline-2,4-dione
PubChem CID14087862
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name5-methyl-1H-quinazoline-2,4-dione
SMILESCc1cccc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C9H8N2O2/c1-5-3-2-4-6-7(5)8(12)11-9(13)10-6/h2-4H,1H3,(H2,10,11,12,13)
InChIKeyOVLVVBLYTQYCCS-UHFFFAOYSA-N
XLogP0.52
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-quinazoline-2,4-dione?
The IUPAC name of 5-methyl-1H-quinazoline-2,4-dione (CID 14087862) is 5-methyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5-methyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 5-methyl-1H-quinazoline-2,4-dione is Cc1cccc2[nH]c(=O)[nH]c(=O)c12.
What is the InChIKey of 5-methyl-1H-quinazoline-2,4-dione?
The InChIKey is OVLVVBLYTQYCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-5-3-2-4-6-7(5)8(12)11-9(13)10-6/h2-4H,1H3,(H2,10,11,12,13).
What are the key properties of 5-methyl-1H-quinazoline-2,4-dione?
5-methyl-1H-quinazoline-2,4-dione has a molecular weight of 176.17 g/mol, XLogP of 0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 14087862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).