3-(6-methylquinolin-4-yl)piperazin-2-one

C14H15N3O — CID 82664178

IUPAC3-(6-methylquinolin-4-yl)piperazin-2-one
SMILESCc1ccc2nccc(C3NCCNC3=O)c2c1
InChIInChI=1S/C14H15N3O/c1-9-2-3-12-11(8-9)10(4-5-15-12)13-14(18)17-7-6-16-13/h2-5,8,13,16H,6-7H2,1H3,(H,17,18)
InChIKeyTYTDREJVXFHHRY-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.30
Rot. Bonds1

About 3-(6-methylquinolin-4-yl)piperazin-2-one

3-(6-methylquinolin-4-yl)piperazin-2-one (PubChem CID 82664178) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(6-methylquinolin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name3-(6-methylquinolin-4-yl)piperazin-2-one
PubChem CID82664178
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-(6-methylquinolin-4-yl)piperazin-2-one
SMILESCc1ccc2nccc(C3NCCNC3=O)c2c1
InChIInChI=1S/C14H15N3O/c1-9-2-3-12-11(8-9)10(4-5-15-12)13-14(18)17-7-6-16-13/h2-5,8,13,16H,6-7H2,1H3,(H,17,18)
InChIKeyTYTDREJVXFHHRY-UHFFFAOYSA-N
XLogP1.30
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylquinolin-4-yl)piperazin-2-one?
The IUPAC name of 3-(6-methylquinolin-4-yl)piperazin-2-one (CID 82664178) is 3-(6-methylquinolin-4-yl)piperazin-2-one.
What is the SMILES notation for 3-(6-methylquinolin-4-yl)piperazin-2-one?
The canonical SMILES for 3-(6-methylquinolin-4-yl)piperazin-2-one is Cc1ccc2nccc(C3NCCNC3=O)c2c1.
What is the InChIKey of 3-(6-methylquinolin-4-yl)piperazin-2-one?
The InChIKey is TYTDREJVXFHHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-2-3-12-11(8-9)10(4-5-15-12)13-14(18)17-7-6-16-13/h2-5,8,13,16H,6-7H2,1H3,(H,17,18).
What are the key properties of 3-(6-methylquinolin-4-yl)piperazin-2-one?
3-(6-methylquinolin-4-yl)piperazin-2-one has a molecular weight of 241.29 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylquinolin-4-yl)piperazin-2-one is sourced from PubChem (CID 82664178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).