6-hydroxy-3-piperidin-4-yl-1H-quinazoline-2,4-dione;hydrobromide

C13H16BrN3O3 — CID 22923447

IUPAC6-hydroxy-3-piperidin-4-yl-1H-quinazoline-2,4-dione;hydrobromide
SMILESBr.O=c1[nH]c2ccc(O)cc2c(=O)n1C1CCNCC1
InChIInChI=1S/C13H15N3O3.BrH/c17-9-1-2-11-10(7-9)12(18)16(13(19)15-11)8-3-5-14-6-4-8;/h1-2,7-8,14,17H,3-6H2,(H,15,19);1H
InChIKeyGCSXDAGYIWACAL-UHFFFAOYSA-N
MW342.19 g/mol
LogP0.90
Rot. Bonds1

About 6-hydroxy-3-piperidin-4-yl-1H-quinazoline-2,4-dione;hydrobromide

6-hydroxy-3-piperidin-4-yl-1H-quinazoline-2,4-dione;hydrobromide (PubChem CID 22923447) has the molecular formula C13H16BrN3O3 and a molecular weight of 342.19 g/mol. Its IUPAC name is 6-hydroxy-3-piperidin-4-yl-1H-quinazoline-2,4-dione;hydrobromide.

Molecular Properties

Compound Name6-hydroxy-3-piperidin-4-yl-1H-quinazoline-2,4-dione;hydrobromide
PubChem CID22923447
Molecular FormulaC13H16BrN3O3
Molecular Weight342.19 g/mol
Exact Mass341.04
IUPAC Name6-hydroxy-3-piperidin-4-yl-1H-quinazoline-2,4-dione;hydrobromide
SMILESBr.O=c1[nH]c2ccc(O)cc2c(=O)n1C1CCNCC1
InChIInChI=1S/C13H15N3O3.BrH/c17-9-1-2-11-10(7-9)12(18)16(13(19)15-11)8-3-5-14-6-4-8;/h1-2,7-8,14,17H,3-6H2,(H,15,19);1H
InChIKeyGCSXDAGYIWACAL-UHFFFAOYSA-N
XLogP0.90
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-piperidin-4-yl-1H-quinazoline-2,4-dione;hydrobromide?
The IUPAC name of 6-hydroxy-3-piperidin-4-yl-1H-quinazoline-2,4-dione;hydrobromide (CID 22923447) is 6-hydroxy-3-piperidin-4-yl-1H-quinazoline-2,4-dione;hydrobromide.
What is the SMILES notation for 6-hydroxy-3-piperidin-4-yl-1H-quinazoline-2,4-dione;hydrobromide?
The canonical SMILES for 6-hydroxy-3-piperidin-4-yl-1H-quinazoline-2,4-dione;hydrobromide is Br.O=c1[nH]c2ccc(O)cc2c(=O)n1C1CCNCC1.
What is the InChIKey of 6-hydroxy-3-piperidin-4-yl-1H-quinazoline-2,4-dione;hydrobromide?
The InChIKey is GCSXDAGYIWACAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3.BrH/c17-9-1-2-11-10(7-9)12(18)16(13(19)15-11)8-3-5-14-6-4-8;/h1-2,7-8,14,17H,3-6H2,(H,15,19);1H.
What are the key properties of 6-hydroxy-3-piperidin-4-yl-1H-quinazoline-2,4-dione;hydrobromide?
6-hydroxy-3-piperidin-4-yl-1H-quinazoline-2,4-dione;hydrobromide has a molecular weight of 342.19 g/mol, XLogP of 0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-piperidin-4-yl-1H-quinazoline-2,4-dione;hydrobromide is sourced from PubChem (CID 22923447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).