5,8-dihydroxy-2-methyl-3H-quinazolin-4-one

C9H8N2O3 — CID 136633637

IUPAC5,8-dihydroxy-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2c(O)ccc(O)c2c(=O)[nH]1
InChIInChI=1S/C9H8N2O3/c1-4-10-8-6(13)3-2-5(12)7(8)9(14)11-4/h2-3,12-13H,1H3,(H,10,11,14)
InChIKeyIEQXXGXOEZQCDL-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.64
Rot. Bonds

About 5,8-dihydroxy-2-methyl-3H-quinazolin-4-one

5,8-dihydroxy-2-methyl-3H-quinazolin-4-one (PubChem CID 136633637) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 5,8-dihydroxy-2-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name5,8-dihydroxy-2-methyl-3H-quinazolin-4-one
PubChem CID136633637
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name5,8-dihydroxy-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2c(O)ccc(O)c2c(=O)[nH]1
InChIInChI=1S/C9H8N2O3/c1-4-10-8-6(13)3-2-5(12)7(8)9(14)11-4/h2-3,12-13H,1H3,(H,10,11,14)
InChIKeyIEQXXGXOEZQCDL-UHFFFAOYSA-N
XLogP0.64
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,8-dihydroxy-2-methyl-3H-quinazolin-4-one?
The IUPAC name of 5,8-dihydroxy-2-methyl-3H-quinazolin-4-one (CID 136633637) is 5,8-dihydroxy-2-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 5,8-dihydroxy-2-methyl-3H-quinazolin-4-one?
The canonical SMILES for 5,8-dihydroxy-2-methyl-3H-quinazolin-4-one is Cc1nc2c(O)ccc(O)c2c(=O)[nH]1.
What is the InChIKey of 5,8-dihydroxy-2-methyl-3H-quinazolin-4-one?
The InChIKey is IEQXXGXOEZQCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-4-10-8-6(13)3-2-5(12)7(8)9(14)11-4/h2-3,12-13H,1H3,(H,10,11,14).
What are the key properties of 5,8-dihydroxy-2-methyl-3H-quinazolin-4-one?
5,8-dihydroxy-2-methyl-3H-quinazolin-4-one has a molecular weight of 192.17 g/mol, XLogP of 0.64, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydroxy-2-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 136633637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).