3-(oxiran-2-ylmethyl)quinazolin-4-one

C11H10N2O2 — CID 12905622

IUPAC3-(oxiran-2-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CC1CO1
InChIInChI=1S/C11H10N2O2/c14-11-9-3-1-2-4-10(9)12-7-13(11)5-8-6-15-8/h1-4,7-8H,5-6H2
InChIKeyYODDFSLRGLKQFP-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.80
Rot. Bonds2

About 3-(oxiran-2-ylmethyl)quinazolin-4-one

3-(oxiran-2-ylmethyl)quinazolin-4-one (PubChem CID 12905622) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-(oxiran-2-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(oxiran-2-ylmethyl)quinazolin-4-one
PubChem CID12905622
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name3-(oxiran-2-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CC1CO1
InChIInChI=1S/C11H10N2O2/c14-11-9-3-1-2-4-10(9)12-7-13(11)5-8-6-15-8/h1-4,7-8H,5-6H2
InChIKeyYODDFSLRGLKQFP-UHFFFAOYSA-N
XLogP0.80
TPSA47.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-[[(1R)-2,2-dichlorocyclopropyl]methyl]quinazolin-4-one
CID 9138172
3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine
CID 97180386
3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)quinazolin-4-one
CID 79343627
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-propylquinazolin-4-one
CID 529124
3-prop-2-ynylquinazolin-4-one
CID 603496
3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 139023691
3-(2,2-dihydroxypropyl)quinazolin-4-one
CID 142014716
3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 42907612
1-(1,3-dioxolan-4-ylmethyl)benzimidazole
CID 58743711
3-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 138989035
3-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 138988371

Frequently Asked Questions

What is the IUPAC name of 3-(oxiran-2-ylmethyl)quinazolin-4-one?
The IUPAC name of 3-(oxiran-2-ylmethyl)quinazolin-4-one (CID 12905622) is 3-(oxiran-2-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 3-(oxiran-2-ylmethyl)quinazolin-4-one?
The canonical SMILES for 3-(oxiran-2-ylmethyl)quinazolin-4-one is O=c1c2ccccc2ncn1CC1CO1.
What is the InChIKey of 3-(oxiran-2-ylmethyl)quinazolin-4-one?
The InChIKey is YODDFSLRGLKQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11-9-3-1-2-4-10(9)12-7-13(11)5-8-6-15-8/h1-4,7-8H,5-6H2.
What are the key properties of 3-(oxiran-2-ylmethyl)quinazolin-4-one?
3-(oxiran-2-ylmethyl)quinazolin-4-one has a molecular weight of 202.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 12905622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).