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

C15H19N3O3 — CID 22923417

IUPAC1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione
SMILESCCn1c(=O)n(C2CCNCC2)c(=O)c2cc(O)ccc21
InChIInChI=1S/C15H19N3O3/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
InChIKeyWGPYNFNAYFHBCT-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.81
Rot. Bonds2

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

1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione (PubChem CID 22923417) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione
PubChem CID22923417
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione
SMILESCCn1c(=O)n(C2CCNCC2)c(=O)c2cc(O)ccc21
InChIInChI=1S/C15H19N3O3/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
InChIKeyWGPYNFNAYFHBCT-UHFFFAOYSA-N
XLogP0.81
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.81
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?
The IUPAC name of 1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione (CID 22923417) is 1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione.
What is the SMILES notation for 1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione?
The canonical SMILES for 1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione is 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?
The InChIKey is WGPYNFNAYFHBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/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.
What are the key properties of 1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione?
1-ethyl-6-hydroxy-3-piperidin-4-ylquinazoline-2,4-dione has a molecular weight of 289.33 g/mol, XLogP of 0.81, 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 is sourced from PubChem (CID 22923417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).