3-ethyl-7-(piperazin-1-ylmethyl)-1H-quinolin-2-one

C16H21N3O — CID 70269014

IUPAC3-ethyl-7-(piperazin-1-ylmethyl)-1H-quinolin-2-one
SMILESCCc1cc2ccc(CN3CCNCC3)cc2[nH]c1=O
InChIInChI=1S/C16H21N3O/c1-2-13-10-14-4-3-12(9-15(14)18-16(13)20)11-19-7-5-17-6-8-19/h3-4,9-10,17H,2,5-8,11H2,1H3,(H,18,20)
InChIKeyXVWBHGRUDRRKBH-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.50
Rot. Bonds3

About 3-ethyl-7-(piperazin-1-ylmethyl)-1H-quinolin-2-one

3-ethyl-7-(piperazin-1-ylmethyl)-1H-quinolin-2-one (PubChem CID 70269014) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-ethyl-7-(piperazin-1-ylmethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-ethyl-7-(piperazin-1-ylmethyl)-1H-quinolin-2-one
PubChem CID70269014
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-ethyl-7-(piperazin-1-ylmethyl)-1H-quinolin-2-one
SMILESCCc1cc2ccc(CN3CCNCC3)cc2[nH]c1=O
InChIInChI=1S/C16H21N3O/c1-2-13-10-14-4-3-12(9-15(14)18-16(13)20)11-19-7-5-17-6-8-19/h3-4,9-10,17H,2,5-8,11H2,1H3,(H,18,20)
InChIKeyXVWBHGRUDRRKBH-UHFFFAOYSA-N
XLogP1.50
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-(piperazin-1-ylmethyl)-1H-quinolin-2-one?
The IUPAC name of 3-ethyl-7-(piperazin-1-ylmethyl)-1H-quinolin-2-one (CID 70269014) is 3-ethyl-7-(piperazin-1-ylmethyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-ethyl-7-(piperazin-1-ylmethyl)-1H-quinolin-2-one?
The canonical SMILES for 3-ethyl-7-(piperazin-1-ylmethyl)-1H-quinolin-2-one is CCc1cc2ccc(CN3CCNCC3)cc2[nH]c1=O.
What is the InChIKey of 3-ethyl-7-(piperazin-1-ylmethyl)-1H-quinolin-2-one?
The InChIKey is XVWBHGRUDRRKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-13-10-14-4-3-12(9-15(14)18-16(13)20)11-19-7-5-17-6-8-19/h3-4,9-10,17H,2,5-8,11H2,1H3,(H,18,20).
What are the key properties of 3-ethyl-7-(piperazin-1-ylmethyl)-1H-quinolin-2-one?
3-ethyl-7-(piperazin-1-ylmethyl)-1H-quinolin-2-one has a molecular weight of 271.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-(piperazin-1-ylmethyl)-1H-quinolin-2-one is sourced from PubChem (CID 70269014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).