7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione

C13H15N3O3 — CID 117262827

IUPAC7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(O)ccc2c(=O)n1C1CCCNC1
InChIInChI=1S/C13H15N3O3/c17-9-3-4-10-11(6-9)15-13(19)16(12(10)18)8-2-1-5-14-7-8/h3-4,6,8,14,17H,1-2,5,7H2,(H,15,19)
InChIKeyXJOQMIDVOCYOOJ-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.32
Rot. Bonds1

About 7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione

7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione (PubChem CID 117262827) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione
PubChem CID117262827
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(O)ccc2c(=O)n1C1CCCNC1
InChIInChI=1S/C13H15N3O3/c17-9-3-4-10-11(6-9)15-13(19)16(12(10)18)8-2-1-5-14-7-8/h3-4,6,8,14,17H,1-2,5,7H2,(H,15,19)
InChIKeyXJOQMIDVOCYOOJ-UHFFFAOYSA-N
XLogP0.32
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione
CID 117261706
7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
CID 117261529
3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261439
6-hydroxy-2-methyl-3-piperidin-3-ylquinazolin-4-one
CID 141376183
3-piperidin-3-yl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 102549125
3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261716
6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione
CID 117261221
6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 83415288
7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262818
4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one
CID 84797339
2-chloro-7-hydroxy-3-pyrrolidin-3-ylquinazolin-4-one
CID 117264246
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione?
The IUPAC name of 7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione (CID 117262827) is 7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione is O=c1[nH]c2cc(O)ccc2c(=O)n1C1CCCNC1.
What is the InChIKey of 7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione?
The InChIKey is XJOQMIDVOCYOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-9-3-4-10-11(6-9)15-13(19)16(12(10)18)8-2-1-5-14-7-8/h3-4,6,8,14,17H,1-2,5,7H2,(H,15,19).
What are the key properties of 7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione?
7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione has a molecular weight of 261.28 g/mol, XLogP of 0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117262827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).