2-(2-oxo-1-pentyl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride

C16H22ClNO2 — CID 82522294

IUPAC2-(2-oxo-1-pentyl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride
SMILESCCCCCn1c2c(cc(CC(=O)Cl)c1=O)CCCC2
InChIInChI=1S/C16H22ClNO2/c1-2-3-6-9-18-14-8-5-4-7-12(14)10-13(16(18)20)11-15(17)19/h10H,2-9,11H2,1H3
InChIKeyRWABAUSLYOIOKX-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.23
Rot. Bonds6

About 2-(2-oxo-1-pentyl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride

2-(2-oxo-1-pentyl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride (PubChem CID 82522294) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(2-oxo-1-pentyl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride.

Molecular Properties

Compound Name2-(2-oxo-1-pentyl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride
PubChem CID82522294
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(2-oxo-1-pentyl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride
SMILESCCCCCn1c2c(cc(CC(=O)Cl)c1=O)CCCC2
InChIInChI=1S/C16H22ClNO2/c1-2-3-6-9-18-14-8-5-4-7-12(14)10-13(16(18)20)11-15(17)19/h10H,2-9,11H2,1H3
InChIKeyRWABAUSLYOIOKX-UHFFFAOYSA-N
XLogP3.23
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-pentyl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride?
The IUPAC name of 2-(2-oxo-1-pentyl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride (CID 82522294) is 2-(2-oxo-1-pentyl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride.
What is the SMILES notation for 2-(2-oxo-1-pentyl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride?
The canonical SMILES for 2-(2-oxo-1-pentyl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride is CCCCCn1c2c(cc(CC(=O)Cl)c1=O)CCCC2.
What is the InChIKey of 2-(2-oxo-1-pentyl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride?
The InChIKey is RWABAUSLYOIOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-2-3-6-9-18-14-8-5-4-7-12(14)10-13(16(18)20)11-15(17)19/h10H,2-9,11H2,1H3.
What are the key properties of 2-(2-oxo-1-pentyl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride?
2-(2-oxo-1-pentyl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride has a molecular weight of 295.81 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-pentyl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride is sourced from PubChem (CID 82522294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).