1-ethyl-7-(2-oxo-2-piperidin-1-ylethoxy)-4-propan-2-ylquinolin-2-one

C21H28N2O3 — CID 42690302

IUPAC1-ethyl-7-(2-oxo-2-piperidin-1-ylethoxy)-4-propan-2-ylquinolin-2-one
SMILESCCn1c(=O)cc(C(C)C)c2ccc(OCC(=O)N3CCCCC3)cc21
InChIInChI=1S/C21H28N2O3/c1-4-23-19-12-16(26-14-21(25)22-10-6-5-7-11-22)8-9-17(19)18(15(2)3)13-20(23)24/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3
InChIKeyKGQSQNDHTKZMHU-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.54
Rot. Bonds5

About 1-ethyl-7-(2-oxo-2-piperidin-1-ylethoxy)-4-propan-2-ylquinolin-2-one

1-ethyl-7-(2-oxo-2-piperidin-1-ylethoxy)-4-propan-2-ylquinolin-2-one (PubChem CID 42690302) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-ethyl-7-(2-oxo-2-piperidin-1-ylethoxy)-4-propan-2-ylquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-7-(2-oxo-2-piperidin-1-ylethoxy)-4-propan-2-ylquinolin-2-one
PubChem CID42690302
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-ethyl-7-(2-oxo-2-piperidin-1-ylethoxy)-4-propan-2-ylquinolin-2-one
SMILESCCn1c(=O)cc(C(C)C)c2ccc(OCC(=O)N3CCCCC3)cc21
InChIInChI=1S/C21H28N2O3/c1-4-23-19-12-16(26-14-21(25)22-10-6-5-7-11-22)8-9-17(19)18(15(2)3)13-20(23)24/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3
InChIKeyKGQSQNDHTKZMHU-UHFFFAOYSA-N
XLogP3.54
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-(2-oxo-2-piperidin-1-ylethoxy)-4-propan-2-ylquinolin-2-one?
The IUPAC name of 1-ethyl-7-(2-oxo-2-piperidin-1-ylethoxy)-4-propan-2-ylquinolin-2-one (CID 42690302) is 1-ethyl-7-(2-oxo-2-piperidin-1-ylethoxy)-4-propan-2-ylquinolin-2-one.
What is the SMILES notation for 1-ethyl-7-(2-oxo-2-piperidin-1-ylethoxy)-4-propan-2-ylquinolin-2-one?
The canonical SMILES for 1-ethyl-7-(2-oxo-2-piperidin-1-ylethoxy)-4-propan-2-ylquinolin-2-one is CCn1c(=O)cc(C(C)C)c2ccc(OCC(=O)N3CCCCC3)cc21.
What is the InChIKey of 1-ethyl-7-(2-oxo-2-piperidin-1-ylethoxy)-4-propan-2-ylquinolin-2-one?
The InChIKey is KGQSQNDHTKZMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-23-19-12-16(26-14-21(25)22-10-6-5-7-11-22)8-9-17(19)18(15(2)3)13-20(23)24/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3.
What are the key properties of 1-ethyl-7-(2-oxo-2-piperidin-1-ylethoxy)-4-propan-2-ylquinolin-2-one?
1-ethyl-7-(2-oxo-2-piperidin-1-ylethoxy)-4-propan-2-ylquinolin-2-one has a molecular weight of 356.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-(2-oxo-2-piperidin-1-ylethoxy)-4-propan-2-ylquinolin-2-one is sourced from PubChem (CID 42690302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).