4-(2-quinolin-8-ylethyl)piperazine-2,6-dione

C15H15N3O2 — CID 81424068

IUPAC4-(2-quinolin-8-ylethyl)piperazine-2,6-dione
SMILESO=C1CN(CCc2cccc3cccnc23)CC(=O)N1
InChIInChI=1S/C15H15N3O2/c19-13-9-18(10-14(20)17-13)8-6-12-4-1-3-11-5-2-7-16-15(11)12/h1-5,7H,6,8-10H2,(H,17,19,20)
InChIKeyPEDDUABBOPTBOV-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.74
Rot. Bonds3

About 4-(2-quinolin-8-ylethyl)piperazine-2,6-dione

4-(2-quinolin-8-ylethyl)piperazine-2,6-dione (PubChem CID 81424068) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-(2-quinolin-8-ylethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-quinolin-8-ylethyl)piperazine-2,6-dione
PubChem CID81424068
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-(2-quinolin-8-ylethyl)piperazine-2,6-dione
SMILESO=C1CN(CCc2cccc3cccnc23)CC(=O)N1
InChIInChI=1S/C15H15N3O2/c19-13-9-18(10-14(20)17-13)8-6-12-4-1-3-11-5-2-7-16-15(11)12/h1-5,7H,6,8-10H2,(H,17,19,20)
InChIKeyPEDDUABBOPTBOV-UHFFFAOYSA-N
XLogP0.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2-quinolin-8-ylethyl)-1,3-diazinane-2,4-dione
CID 81423387
1-(2-quinolin-8-ylethyl)-1,4-diazepane-2,5-dione
CID 81435951
1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid
CID 81423377
[1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine
CID 81427571
N-propyl-1-(2-quinolin-8-ylethyl)pyrrolidin-3-amine
CID 81428007
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
4-[(3-ethyl-2-pyridinyl)methyl]piperazine-2,6-dione
CID 82754494
3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17450906
aluminum quinolin-8-ylmethanol
CID 23124809
4-[(2-hydrazinyl-3-pyridinyl)methyl]piperazine-2,6-dione
CID 66062201
1-(2-quinolin-8-ylethyl)tetrazol-5-amine
CID 81423181
2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 120907566

Frequently Asked Questions

What is the IUPAC name of 4-(2-quinolin-8-ylethyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-quinolin-8-ylethyl)piperazine-2,6-dione (CID 81424068) is 4-(2-quinolin-8-ylethyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-quinolin-8-ylethyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-quinolin-8-ylethyl)piperazine-2,6-dione is O=C1CN(CCc2cccc3cccnc23)CC(=O)N1.
What is the InChIKey of 4-(2-quinolin-8-ylethyl)piperazine-2,6-dione?
The InChIKey is PEDDUABBOPTBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-13-9-18(10-14(20)17-13)8-6-12-4-1-3-11-5-2-7-16-15(11)12/h1-5,7H,6,8-10H2,(H,17,19,20).
What are the key properties of 4-(2-quinolin-8-ylethyl)piperazine-2,6-dione?
4-(2-quinolin-8-ylethyl)piperazine-2,6-dione has a molecular weight of 269.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-quinolin-8-ylethyl)piperazine-2,6-dione is sourced from PubChem (CID 81424068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).