1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide

C15H20BrN3O3 — CID 22923416

IUPAC1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide
SMILESBr.CCn1c(=O)n(C2CCNCC2)c(=O)c2cc(O)ccc21
InChIInChI=1S/C15H19N3O3.BrH/c1-2-17-13-4-3-11(19)9-12(13)14(20)18(15(17)21)10-5-7-16-8-6-10;/h3-4,9-10,16,19H,2,5-8H2,1H3;1H
InChIKeyGIQXTHFCARRGTR-UHFFFAOYSA-N
MW370.25 g/mol
LogP1.39
Rot. Bonds2

About 1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide

1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide (PubChem CID 22923416) has the molecular formula C15H20BrN3O3 and a molecular weight of 370.25 g/mol. Its IUPAC name is 1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide.

Molecular Properties

Compound Name1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide
PubChem CID22923416
Molecular FormulaC15H20BrN3O3
Molecular Weight370.25 g/mol
Exact Mass369.07
IUPAC Name1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide
SMILESBr.CCn1c(=O)n(C2CCNCC2)c(=O)c2cc(O)ccc21
InChIInChI=1S/C15H19N3O3.BrH/c1-2-17-13-4-3-11(19)9-12(13)14(20)18(15(17)21)10-5-7-16-8-6-10;/h3-4,9-10,16,19H,2,5-8H2,1H3;1H
InChIKeyGIQXTHFCARRGTR-UHFFFAOYSA-N
XLogP1.39
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide?
The IUPAC name of 1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide (CID 22923416) is 1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide.
What is the SMILES notation for 1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide?
The canonical SMILES for 1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide is Br.CCn1c(=O)n(C2CCNCC2)c(=O)c2cc(O)ccc21.
What is the InChIKey of 1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide?
The InChIKey is GIQXTHFCARRGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3.BrH/c1-2-17-13-4-3-11(19)9-12(13)14(20)18(15(17)21)10-5-7-16-8-6-10;/h3-4,9-10,16,19H,2,5-8H2,1H3;1H.
What are the key properties of 1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide?
1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide has a molecular weight of 370.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide is sourced from PubChem (CID 22923416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).