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

C16H21N3O2 — CID 22923521

IUPAC6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
SMILESCCc1ccc2c(c1)c(=O)n(C1CCNCC1)c(=O)n2C
InChIInChI=1S/C16H21N3O2/c1-3-11-4-5-14-13(10-11)15(20)19(16(21)18(14)2)12-6-8-17-9-7-12/h4-5,10,12,17H,3,6-9H2,1-2H3
InChIKeyUUKACIDAABNWKK-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.19
Rot. Bonds2

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

6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione (PubChem CID 22923521) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
PubChem CID22923521
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
SMILESCCc1ccc2c(c1)c(=O)n(C1CCNCC1)c(=O)n2C
InChIInChI=1S/C16H21N3O2/c1-3-11-4-5-14-13(10-11)15(20)19(16(21)18(14)2)12-6-8-17-9-7-12/h4-5,10,12,17H,3,6-9H2,1-2H3
InChIKeyUUKACIDAABNWKK-UHFFFAOYSA-N
XLogP1.19
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione?
The IUPAC name of 6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione (CID 22923521) is 6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione.
What is the SMILES notation for 6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione?
The canonical SMILES for 6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione is CCc1ccc2c(c1)c(=O)n(C1CCNCC1)c(=O)n2C.
What is the InChIKey of 6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione?
The InChIKey is UUKACIDAABNWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-11-4-5-14-13(10-11)15(20)19(16(21)18(14)2)12-6-8-17-9-7-12/h4-5,10,12,17H,3,6-9H2,1-2H3.
What are the key properties of 6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione?
6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione has a molecular weight of 287.36 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione is sourced from PubChem (CID 22923521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).