8-hydroxy-2-methyl-3H-quinazolin-4-one

C9H8N2O2 — CID 135398517

IUPAC8-hydroxy-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2c(O)cccc2c(=O)[nH]1
InChIInChI=1S/C9H8N2O2/c1-5-10-8-6(9(13)11-5)3-2-4-7(8)12/h2-4,12H,1H3,(H,10,11,13)
InChIKeyYJDAOHJWLUNFLX-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.94
Rot. Bonds

About 8-hydroxy-2-methyl-3H-quinazolin-4-one

8-hydroxy-2-methyl-3H-quinazolin-4-one (PubChem CID 135398517) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 8-hydroxy-2-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-hydroxy-2-methyl-3H-quinazolin-4-one
PubChem CID135398517
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name8-hydroxy-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2c(O)cccc2c(=O)[nH]1
InChIInChI=1S/C9H8N2O2/c1-5-10-8-6(9(13)11-5)3-2-4-7(8)12/h2-4,12H,1H3,(H,10,11,13)
InChIKeyYJDAOHJWLUNFLX-UHFFFAOYSA-N
XLogP0.94
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-methyl-3H-quinazolin-4-one?
The IUPAC name of 8-hydroxy-2-methyl-3H-quinazolin-4-one (CID 135398517) is 8-hydroxy-2-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 8-hydroxy-2-methyl-3H-quinazolin-4-one?
The canonical SMILES for 8-hydroxy-2-methyl-3H-quinazolin-4-one is Cc1nc2c(O)cccc2c(=O)[nH]1.
What is the InChIKey of 8-hydroxy-2-methyl-3H-quinazolin-4-one?
The InChIKey is YJDAOHJWLUNFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-5-10-8-6(9(13)11-5)3-2-4-7(8)12/h2-4,12H,1H3,(H,10,11,13).
What are the key properties of 8-hydroxy-2-methyl-3H-quinazolin-4-one?
8-hydroxy-2-methyl-3H-quinazolin-4-one has a molecular weight of 176.18 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135398517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).