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

C14H18ClNO3 — CID 82522207

IUPAC2-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]acetyl chloride
SMILESCOCCn1c2c(cc(CC(=O)Cl)c1=O)CCCC2
InChIInChI=1S/C14H18ClNO3/c1-19-7-6-16-12-5-3-2-4-10(12)8-11(14(16)18)9-13(15)17/h8H,2-7,9H2,1H3
InChIKeyLRPXWYMKZJXMTD-UHFFFAOYSA-N
MW283.75 g/mol
LogP1.68
Rot. Bonds5

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

2-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]acetyl chloride (PubChem CID 82522207) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]acetyl chloride.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]acetyl chloride
PubChem CID82522207
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]acetyl chloride
SMILESCOCCn1c2c(cc(CC(=O)Cl)c1=O)CCCC2
InChIInChI=1S/C14H18ClNO3/c1-19-7-6-16-12-5-3-2-4-10(12)8-11(14(16)18)9-13(15)17/h8H,2-7,9H2,1H3
InChIKeyLRPXWYMKZJXMTD-UHFFFAOYSA-N
XLogP1.68
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]acetyl chloride?
The IUPAC name of 2-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]acetyl chloride (CID 82522207) is 2-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]acetyl chloride.
What is the SMILES notation for 2-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]acetyl chloride?
The canonical SMILES for 2-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]acetyl chloride is COCCn1c2c(cc(CC(=O)Cl)c1=O)CCCC2.
What is the InChIKey of 2-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]acetyl chloride?
The InChIKey is LRPXWYMKZJXMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-19-7-6-16-12-5-3-2-4-10(12)8-11(14(16)18)9-13(15)17/h8H,2-7,9H2,1H3.
What are the key properties of 2-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]acetyl chloride?
2-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]acetyl chloride has a molecular weight of 283.75 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]acetyl chloride is sourced from PubChem (CID 82522207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).