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

C14H18ClNO2 — CID 82522555

IUPAC3-(1-ethyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride
SMILESCCn1c2c(cc(CCC(=O)Cl)c1=O)CCCC2
InChIInChI=1S/C14H18ClNO2/c1-2-16-12-6-4-3-5-10(12)9-11(14(16)18)7-8-13(15)17/h9H,2-8H2,1H3
InChIKeyQEIOTPCTWNXBAX-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.44
Rot. Bonds4

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

3-(1-ethyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride (PubChem CID 82522555) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-(1-ethyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride.

Molecular Properties

Compound Name3-(1-ethyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride
PubChem CID82522555
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-(1-ethyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride
SMILESCCn1c2c(cc(CCC(=O)Cl)c1=O)CCCC2
InChIInChI=1S/C14H18ClNO2/c1-2-16-12-6-4-3-5-10(12)9-11(14(16)18)7-8-13(15)17/h9H,2-8H2,1H3
InChIKeyQEIOTPCTWNXBAX-UHFFFAOYSA-N
XLogP2.44
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1-ethyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride?
The IUPAC name of 3-(1-ethyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride (CID 82522555) is 3-(1-ethyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride.
What is the SMILES notation for 3-(1-ethyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride?
The canonical SMILES for 3-(1-ethyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride is CCn1c2c(cc(CCC(=O)Cl)c1=O)CCCC2.
What is the InChIKey of 3-(1-ethyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride?
The InChIKey is QEIOTPCTWNXBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-2-16-12-6-4-3-5-10(12)9-11(14(16)18)7-8-13(15)17/h9H,2-8H2,1H3.
What are the key properties of 3-(1-ethyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride?
3-(1-ethyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride has a molecular weight of 267.76 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride is sourced from PubChem (CID 82522555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).