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

C15H20ClNO3 — CID 82522206

IUPAC3-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]propanoyl chloride
SMILESCOCCn1c2c(cc(CCC(=O)Cl)c1=O)CCCC2
InChIInChI=1S/C15H20ClNO3/c1-20-9-8-17-13-5-3-2-4-11(13)10-12(15(17)19)6-7-14(16)18/h10H,2-9H2,1H3
InChIKeyHTUQRSQKNWPTKZ-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.07
Rot. Bonds6

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

3-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]propanoyl chloride (PubChem CID 82522206) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]propanoyl chloride.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]propanoyl chloride
PubChem CID82522206
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name3-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]propanoyl chloride
SMILESCOCCn1c2c(cc(CCC(=O)Cl)c1=O)CCCC2
InChIInChI=1S/C15H20ClNO3/c1-20-9-8-17-13-5-3-2-4-11(13)10-12(15(17)19)6-7-14(16)18/h10H,2-9H2,1H3
InChIKeyHTUQRSQKNWPTKZ-UHFFFAOYSA-N
XLogP2.07
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.07
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 3-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]propanoyl chloride?
The IUPAC name of 3-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]propanoyl chloride (CID 82522206) is 3-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]propanoyl chloride.
What is the SMILES notation for 3-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]propanoyl chloride?
The canonical SMILES for 3-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]propanoyl chloride is COCCn1c2c(cc(CCC(=O)Cl)c1=O)CCCC2.
What is the InChIKey of 3-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]propanoyl chloride?
The InChIKey is HTUQRSQKNWPTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-20-9-8-17-13-5-3-2-4-11(13)10-12(15(17)19)6-7-14(16)18/h10H,2-9H2,1H3.
What are the key properties of 3-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]propanoyl chloride?
3-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]propanoyl chloride has a molecular weight of 297.78 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl]propanoyl chloride is sourced from PubChem (CID 82522206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).