6-(2-hydroxyacetyl)-3H-quinazolin-4-one

C10H8N2O3 — CID 158775272

IUPAC6-(2-hydroxyacetyl)-3H-quinazolin-4-one
SMILESO=C(CO)c1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C10H8N2O3/c13-4-9(14)6-1-2-8-7(3-6)10(15)12-5-11-8/h1-3,5,13H,4H2,(H,11,12,15)
InChIKeyZOQXGKSIOSMXMI-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.10
Rot. Bonds2

About 6-(2-hydroxyacetyl)-3H-quinazolin-4-one

6-(2-hydroxyacetyl)-3H-quinazolin-4-one (PubChem CID 158775272) has the molecular formula C10H8N2O3 and a molecular weight of 204.18 g/mol. Its IUPAC name is 6-(2-hydroxyacetyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(2-hydroxyacetyl)-3H-quinazolin-4-one
PubChem CID158775272
Molecular FormulaC10H8N2O3
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC Name6-(2-hydroxyacetyl)-3H-quinazolin-4-one
SMILESO=C(CO)c1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C10H8N2O3/c13-4-9(14)6-1-2-8-7(3-6)10(15)12-5-11-8/h1-3,5,13H,4H2,(H,11,12,15)
InChIKeyZOQXGKSIOSMXMI-UHFFFAOYSA-N
XLogP0.10
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-oxo-3H-quinazoline-6-carboxylate
CID 135742218
7-(2-bromoacetyl)-3H-quinazolin-4-one
CID 135714637
N-(2,6-dimethylphenyl)-4-oxo-3H-quinazoline-6-carboxamide
CID 141277541
ethane;6-ethyl-3H-quinazolin-4-one
CID 143716071
N-(4-oxo-3H-quinazolin-6-yl)benzamide
CID 174817735
6-phenyl-3H-quinazolin-4-one
CID 135741302
2,3-dihydroxy-3-(4-oxo-3H-quinazolin-6-yl)propanoic acid
CID 170824720
ethane;7-methyl-3H-quinazolin-4-one
CID 143636831
6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one
CID 135800573
1-(3H-benzimidazol-5-yl)-4-phenylbutane-1,4-dione
CID 90354958
(E)-N-ethyl-3-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide
CID 141169249
methane;3H-quinazolin-4-one
CID 143348425

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyacetyl)-3H-quinazolin-4-one?
The IUPAC name of 6-(2-hydroxyacetyl)-3H-quinazolin-4-one (CID 158775272) is 6-(2-hydroxyacetyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-(2-hydroxyacetyl)-3H-quinazolin-4-one?
The canonical SMILES for 6-(2-hydroxyacetyl)-3H-quinazolin-4-one is O=C(CO)c1ccc2nc[nH]c(=O)c2c1.
What is the InChIKey of 6-(2-hydroxyacetyl)-3H-quinazolin-4-one?
The InChIKey is ZOQXGKSIOSMXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-4-9(14)6-1-2-8-7(3-6)10(15)12-5-11-8/h1-3,5,13H,4H2,(H,11,12,15).
What are the key properties of 6-(2-hydroxyacetyl)-3H-quinazolin-4-one?
6-(2-hydroxyacetyl)-3H-quinazolin-4-one has a molecular weight of 204.18 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyacetyl)-3H-quinazolin-4-one is sourced from PubChem (CID 158775272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).