5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione

C13H14N2O4 — CID 117260961

IUPAC5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cccc(O)c2c(=O)n1C1CCOCC1
InChIInChI=1S/C13H14N2O4/c16-10-3-1-2-9-11(10)12(17)15(13(18)14-9)8-4-6-19-7-5-8/h1-3,8,16H,4-7H2,(H,14,18)
InChIKeyZTCQBOROPSDHON-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.75
Rot. Bonds1

About 5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione

5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione (PubChem CID 117260961) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
PubChem CID117260961
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cccc(O)c2c(=O)n1C1CCOCC1
InChIInChI=1S/C13H14N2O4/c16-10-3-1-2-9-11(10)12(17)15(13(18)14-9)8-4-6-19-7-5-8/h1-3,8,16H,4-7H2,(H,14,18)
InChIKeyZTCQBOROPSDHON-UHFFFAOYSA-N
XLogP0.75
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,1-dioxothiolan-3-yl)-5-hydroxy-1H-quinazoline-2,4-dione
CID 117260927
7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
CID 117261529
3-(oxolan-3-yl)-1H-quinazoline-2,4-dione
CID 117260899
4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117208712
4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 84796017
4-methyl-3-(oxolan-3-yl)-1H-benzimidazol-2-one
CID 117208534
3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione
CID 117261706
5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262188
5-chloro-3-(1,1-dioxothiolan-3-yl)-1H-quinazoline-2,4-dione
CID 117260913
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765
7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one
CID 117206184
3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 56810285

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione?
The IUPAC name of 5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione (CID 117260961) is 5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione is O=c1[nH]c2cccc(O)c2c(=O)n1C1CCOCC1.
What is the InChIKey of 5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione?
The InChIKey is ZTCQBOROPSDHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-10-3-1-2-9-11(10)12(17)15(13(18)14-9)8-4-6-19-7-5-8/h1-3,8,16H,4-7H2,(H,14,18).
What are the key properties of 5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione?
5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione has a molecular weight of 262.26 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117260961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).