3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione

C16H17N3O2 — CID 64880979

IUPAC3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)CN(Cc2ccc3ncccc3c2)C1=O
InChIInChI=1S/C16H17N3O2/c1-2-13-16(21)19(10-15(20)18-13)9-11-5-6-14-12(8-11)4-3-7-17-14/h3-8,13H,2,9-10H2,1H3,(H,18,20)
InChIKeyIKAQDISAUCTVKN-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.47
Rot. Bonds3

About 3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione

3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione (PubChem CID 64880979) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione
PubChem CID64880979
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)CN(Cc2ccc3ncccc3c2)C1=O
InChIInChI=1S/C16H17N3O2/c1-2-13-16(21)19(10-15(20)18-13)9-11-5-6-14-12(8-11)4-3-7-17-14/h3-8,13H,2,9-10H2,1H3,(H,18,20)
InChIKeyIKAQDISAUCTVKN-UHFFFAOYSA-N
XLogP1.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione (CID 64880979) is 3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione is CCC1NC(=O)CN(Cc2ccc3ncccc3c2)C1=O.
What is the InChIKey of 3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione?
The InChIKey is IKAQDISAUCTVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-13-16(21)19(10-15(20)18-13)9-11-5-6-14-12(8-11)4-3-7-17-14/h3-8,13H,2,9-10H2,1H3,(H,18,20).
What are the key properties of 3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione?
3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione has a molecular weight of 283.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64880979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).