3-ethyl-4-[2-(1-methylpyrazol-3-yl)quinoline-4-carbonyl]piperazin-2-one

C20H21N5O2 — CID 46977240

IUPAC3-ethyl-4-[2-(1-methylpyrazol-3-yl)quinoline-4-carbonyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cc(-c2ccn(C)n2)nc2ccccc12
InChIInChI=1S/C20H21N5O2/c1-3-18-19(26)21-9-11-25(18)20(27)14-12-17(16-8-10-24(2)23-16)22-15-7-5-4-6-13(14)15/h4-8,10,12,18H,3,9,11H2,1-2H3,(H,21,26)
InChIKeyAYNMZIGZCFMTEU-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.99
Rot. Bonds3

About 3-ethyl-4-[2-(1-methylpyrazol-3-yl)quinoline-4-carbonyl]piperazin-2-one

3-ethyl-4-[2-(1-methylpyrazol-3-yl)quinoline-4-carbonyl]piperazin-2-one (PubChem CID 46977240) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-ethyl-4-[2-(1-methylpyrazol-3-yl)quinoline-4-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[2-(1-methylpyrazol-3-yl)quinoline-4-carbonyl]piperazin-2-one
PubChem CID46977240
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-ethyl-4-[2-(1-methylpyrazol-3-yl)quinoline-4-carbonyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cc(-c2ccn(C)n2)nc2ccccc12
InChIInChI=1S/C20H21N5O2/c1-3-18-19(26)21-9-11-25(18)20(27)14-12-17(16-8-10-24(2)23-16)22-15-7-5-4-6-13(14)15/h4-8,10,12,18H,3,9,11H2,1-2H3,(H,21,26)
InChIKeyAYNMZIGZCFMTEU-UHFFFAOYSA-N
XLogP1.99
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[2-(1-methylpyrazol-3-yl)quinoline-4-carbonyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[2-(1-methylpyrazol-3-yl)quinoline-4-carbonyl]piperazin-2-one (CID 46977240) is 3-ethyl-4-[2-(1-methylpyrazol-3-yl)quinoline-4-carbonyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[2-(1-methylpyrazol-3-yl)quinoline-4-carbonyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[2-(1-methylpyrazol-3-yl)quinoline-4-carbonyl]piperazin-2-one is CCC1C(=O)NCCN1C(=O)c1cc(-c2ccn(C)n2)nc2ccccc12.
What is the InChIKey of 3-ethyl-4-[2-(1-methylpyrazol-3-yl)quinoline-4-carbonyl]piperazin-2-one?
The InChIKey is AYNMZIGZCFMTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-3-18-19(26)21-9-11-25(18)20(27)14-12-17(16-8-10-24(2)23-16)22-15-7-5-4-6-13(14)15/h4-8,10,12,18H,3,9,11H2,1-2H3,(H,21,26).
What are the key properties of 3-ethyl-4-[2-(1-methylpyrazol-3-yl)quinoline-4-carbonyl]piperazin-2-one?
3-ethyl-4-[2-(1-methylpyrazol-3-yl)quinoline-4-carbonyl]piperazin-2-one has a molecular weight of 363.42 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[2-(1-methylpyrazol-3-yl)quinoline-4-carbonyl]piperazin-2-one is sourced from PubChem (CID 46977240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).