7-hydroxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide

C14H18BrN3O3 — CID 22923480

IUPAC7-hydroxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide
SMILESBr.Cn1c(=O)n(C2CCNCC2)c(=O)c2ccc(O)cc21
InChIInChI=1S/C14H17N3O3.BrH/c1-16-12-8-10(18)2-3-11(12)13(19)17(14(16)20)9-4-6-15-7-5-9;/h2-3,8-9,15,18H,4-7H2,1H3;1H
InChIKeyBBAYYXSRLUKOKQ-UHFFFAOYSA-N
MW356.22 g/mol
LogP0.91
Rot. Bonds1

About 7-hydroxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide

7-hydroxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide (PubChem CID 22923480) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is 7-hydroxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide.

Molecular Properties

Compound Name7-hydroxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide
PubChem CID22923480
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name7-hydroxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide
SMILESBr.Cn1c(=O)n(C2CCNCC2)c(=O)c2ccc(O)cc21
InChIInChI=1S/C14H17N3O3.BrH/c1-16-12-8-10(18)2-3-11(12)13(19)17(14(16)20)9-4-6-15-7-5-9;/h2-3,8-9,15,18H,4-7H2,1H3;1H
InChIKeyBBAYYXSRLUKOKQ-UHFFFAOYSA-N
XLogP0.91
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide?
The IUPAC name of 7-hydroxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide (CID 22923480) is 7-hydroxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide.
What is the SMILES notation for 7-hydroxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide?
The canonical SMILES for 7-hydroxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide is Br.Cn1c(=O)n(C2CCNCC2)c(=O)c2ccc(O)cc21.
What is the InChIKey of 7-hydroxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide?
The InChIKey is BBAYYXSRLUKOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3.BrH/c1-16-12-8-10(18)2-3-11(12)13(19)17(14(16)20)9-4-6-15-7-5-9;/h2-3,8-9,15,18H,4-7H2,1H3;1H.
What are the key properties of 7-hydroxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide?
7-hydroxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide has a molecular weight of 356.22 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide is sourced from PubChem (CID 22923480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).