1-methylquinazoline-2,4-dione

C9H8N2O2 — CID 11788

IUPAC1-methylquinazoline-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(12)10-9(11)13/h2-5H,1H3,(H,10,12,13)
InChIKeyRWFOOMQYIRITHL-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.23
Rot. Bonds

About 1-methylquinazoline-2,4-dione

1-methylquinazoline-2,4-dione (PubChem CID 11788) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 1-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name1-methylquinazoline-2,4-dione
PubChem CID11788
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name1-methylquinazoline-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(12)10-9(11)13/h2-5H,1H3,(H,10,12,13)
InChIKeyRWFOOMQYIRITHL-UHFFFAOYSA-N
XLogP0.23
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Quinazolinedione
CID 64048
3-Hydroxy-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 220188
2-Mercapto-3-phenylquinazolin-4(3H)-one
CID 680914
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
Bentazon methyl
CID 611316
2-Mercapto-4(3H)-quinazolinone
CID 683940
3-Amino-1H-quinazoline-2,4-dione
CID 968929
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-(dimethylamino)phenyl)methylene)-
CID 74464
6H-Pyrimido(2,1-b)quinazolin-6-one, 1,2,3,4-tetrahydro-
CID 209367
2,3-Dihydro-2-(4-methylphenyl)-4(1H)-quinazolinone
CID 2818760
3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione
CID 78766
2,3-Dihydro-2-(3-methylphenyl)-4(1H)-quinazolinone
CID 292559

Frequently Asked Questions

What is the IUPAC name of 1-methylquinazoline-2,4-dione?
The IUPAC name of 1-methylquinazoline-2,4-dione (CID 11788) is 1-methylquinazoline-2,4-dione.
What is the SMILES notation for 1-methylquinazoline-2,4-dione?
The canonical SMILES for 1-methylquinazoline-2,4-dione is Cn1c(=O)[nH]c(=O)c2ccccc21.
What is the InChIKey of 1-methylquinazoline-2,4-dione?
The InChIKey is RWFOOMQYIRITHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(12)10-9(11)13/h2-5H,1H3,(H,10,12,13).
What are the key properties of 1-methylquinazoline-2,4-dione?
1-methylquinazoline-2,4-dione has a molecular weight of 176.18 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylquinazoline-2,4-dione is sourced from PubChem (CID 11788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).