2-[4-[3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)oxy]propyl]piperazin-1-yl]ethyl acetate

C20H29N3O4 — CID 21243004

IUPAC2-[4-[3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)oxy]propyl]piperazin-1-yl]ethyl acetate
SMILESCC(=O)OCCN1CCN(CCCOC2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C20H29N3O4/c1-16(24)26-14-12-23-10-8-22(9-11-23)7-4-13-27-19-15-20(25)21-18-6-3-2-5-17(18)19/h2-3,5-6,19H,4,7-15H2,1H3,(H,21,25)
InChIKeyOSAFXSJJTURBBO-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.66
Rot. Bonds8

About 2-[4-[3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)oxy]propyl]piperazin-1-yl]ethyl acetate

2-[4-[3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)oxy]propyl]piperazin-1-yl]ethyl acetate (PubChem CID 21243004) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[4-[3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)oxy]propyl]piperazin-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[4-[3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)oxy]propyl]piperazin-1-yl]ethyl acetate
PubChem CID21243004
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name2-[4-[3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)oxy]propyl]piperazin-1-yl]ethyl acetate
SMILESCC(=O)OCCN1CCN(CCCOC2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C20H29N3O4/c1-16(24)26-14-12-23-10-8-22(9-11-23)7-4-13-27-19-15-20(25)21-18-6-3-2-5-17(18)19/h2-3,5-6,19H,4,7-15H2,1H3,(H,21,25)
InChIKeyOSAFXSJJTURBBO-UHFFFAOYSA-N
XLogP1.66
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)oxy]propyl]piperazin-1-yl]ethyl acetate?
The IUPAC name of 2-[4-[3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)oxy]propyl]piperazin-1-yl]ethyl acetate (CID 21243004) is 2-[4-[3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)oxy]propyl]piperazin-1-yl]ethyl acetate.
What is the SMILES notation for 2-[4-[3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)oxy]propyl]piperazin-1-yl]ethyl acetate?
The canonical SMILES for 2-[4-[3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)oxy]propyl]piperazin-1-yl]ethyl acetate is CC(=O)OCCN1CCN(CCCOC2CC(=O)Nc3ccccc32)CC1.
What is the InChIKey of 2-[4-[3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)oxy]propyl]piperazin-1-yl]ethyl acetate?
The InChIKey is OSAFXSJJTURBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-16(24)26-14-12-23-10-8-22(9-11-23)7-4-13-27-19-15-20(25)21-18-6-3-2-5-17(18)19/h2-3,5-6,19H,4,7-15H2,1H3,(H,21,25).
What are the key properties of 2-[4-[3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)oxy]propyl]piperazin-1-yl]ethyl acetate?
2-[4-[3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)oxy]propyl]piperazin-1-yl]ethyl acetate has a molecular weight of 375.47 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)oxy]propyl]piperazin-1-yl]ethyl acetate is sourced from PubChem (CID 21243004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).