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

C13H14N2O4 — CID 117261529

IUPAC7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(O)ccc2c(=O)n1C1CCOCC1
InChIInChI=1S/C13H14N2O4/c16-9-1-2-10-11(7-9)14-13(18)15(12(10)17)8-3-5-19-6-4-8/h1-2,7-8,16H,3-6H2,(H,14,18)
InChIKeyLIPRWZQMJXMSKA-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.75
Rot. Bonds1

About 7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione

7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione (PubChem CID 117261529) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
PubChem CID117261529
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(O)ccc2c(=O)n1C1CCOCC1
InChIInChI=1S/C13H14N2O4/c16-9-1-2-10-11(7-9)14-13(18)15(12(10)17)8-3-5-19-6-4-8/h1-2,7-8,16H,3-6H2,(H,14,18)
InChIKeyLIPRWZQMJXMSKA-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-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione
CID 117261706
7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione
CID 117262827
3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261439
5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
CID 117260961
3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261468
3-(oxolan-3-yl)-1H-quinazoline-2,4-dione
CID 117260899
3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261716
6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 83415288
7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261515
3-(1,1-dioxothian-4-yl)-7-fluoro-1H-quinazoline-2,4-dione
CID 117261520
7-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261525
3-(1,1-dioxothian-4-yl)-6-hydroxy-1H-benzimidazol-2-one
CID 117207061

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione?
The IUPAC name of 7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione (CID 117261529) is 7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione is O=c1[nH]c2cc(O)ccc2c(=O)n1C1CCOCC1.
What is the InChIKey of 7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione?
The InChIKey is LIPRWZQMJXMSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-9-1-2-10-11(7-9)14-13(18)15(12(10)17)8-3-5-19-6-4-8/h1-2,7-8,16H,3-6H2,(H,14,18).
What are the key properties of 7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione?
7-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 7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).