6-hydroxy-2-methyl-4aH-quinazolin-4-one

C9H8N2O2 — CID 71650448

IUPAC6-hydroxy-2-methyl-4aH-quinazolin-4-one
SMILESCC1=NC(=O)C2C=C(O)C=CC2=N1
InChIInChI=1S/C9H8N2O2/c1-5-10-8-3-2-6(12)4-7(8)9(13)11-5/h2-4,7,12H,1H3
InChIKeyWMCKLBWFYNNQMB-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.01
Rot. Bonds

About 6-hydroxy-2-methyl-4aH-quinazolin-4-one

6-hydroxy-2-methyl-4aH-quinazolin-4-one (PubChem CID 71650448) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 6-hydroxy-2-methyl-4aH-quinazolin-4-one.

Molecular Properties

Compound Name6-hydroxy-2-methyl-4aH-quinazolin-4-one
PubChem CID71650448
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name6-hydroxy-2-methyl-4aH-quinazolin-4-one
SMILESCC1=NC(=O)C2C=C(O)C=CC2=N1
InChIInChI=1S/C9H8N2O2/c1-5-10-8-3-2-6(12)4-7(8)9(13)11-5/h2-4,7,12H,1H3
InChIKeyWMCKLBWFYNNQMB-UHFFFAOYSA-N
XLogP1.01
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4aH-quinazolin-4-one
CID 57310190
2-ethyl-4aH-quinazolin-4-one
CID 77520332
2-acetyl-4aH-quinazolin-4-one
CID 24871174
2-[(1S)-1-hydroxyethyl]-4aH-quinazolin-4-one
CID 24871185
8-hydroxy-2-methyl-4aH-quinazolin-4-one
CID 44483331
6-hydroxy-4aH-quinazolin-4-one
CID 71650449
7-methoxy-2-methyl-4aH-quinazolin-4-one
CID 73183698
2-propan-2-yl-4aH-quinazolin-4-one
CID 76845207
2-methoxy-4aH-quinazolin-4-one
CID 76845210
2-methyl-4aH-quinazolin-4-one;hydrochloride
CID 76845219
2-ethyl-6-propan-2-yl-4aH-quinazolin-4-one
CID 129912470
3-Allyl-7-hydroxy-4-methyl-2(1H)-quinolinone
CID 136262386

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methyl-4aH-quinazolin-4-one?
The IUPAC name of 6-hydroxy-2-methyl-4aH-quinazolin-4-one (CID 71650448) is 6-hydroxy-2-methyl-4aH-quinazolin-4-one.
What is the SMILES notation for 6-hydroxy-2-methyl-4aH-quinazolin-4-one?
The canonical SMILES for 6-hydroxy-2-methyl-4aH-quinazolin-4-one is CC1=NC(=O)C2C=C(O)C=CC2=N1.
What is the InChIKey of 6-hydroxy-2-methyl-4aH-quinazolin-4-one?
The InChIKey is WMCKLBWFYNNQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-5-10-8-3-2-6(12)4-7(8)9(13)11-5/h2-4,7,12H,1H3.
What are the key properties of 6-hydroxy-2-methyl-4aH-quinazolin-4-one?
6-hydroxy-2-methyl-4aH-quinazolin-4-one has a molecular weight of 176.17 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methyl-4aH-quinazolin-4-one is sourced from PubChem (CID 71650448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).