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

C15H18ClNO2 — CID 82522429

IUPAC3-(1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride
SMILESO=C(Cl)CCc1cc2c(n(C3CC3)c1=O)CCCC2
InChIInChI=1S/C15H18ClNO2/c16-14(18)8-5-11-9-10-3-1-2-4-13(10)17(15(11)19)12-6-7-12/h9,12H,1-8H2
InChIKeyVOPYRVKVNMMTDM-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.76
Rot. Bonds4

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

3-(1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride (PubChem CID 82522429) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-(1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride.

Molecular Properties

Compound Name3-(1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride
PubChem CID82522429
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name3-(1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride
SMILESO=C(Cl)CCc1cc2c(n(C3CC3)c1=O)CCCC2
InChIInChI=1S/C15H18ClNO2/c16-14(18)8-5-11-9-10-3-1-2-4-13(10)17(15(11)19)12-6-7-12/h9,12H,1-8H2
InChIKeyVOPYRVKVNMMTDM-UHFFFAOYSA-N
XLogP2.76
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1-cyclopropyl-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-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride?
The IUPAC name of 3-(1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride (CID 82522429) is 3-(1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride.
What is the SMILES notation for 3-(1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride?
The canonical SMILES for 3-(1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride is O=C(Cl)CCc1cc2c(n(C3CC3)c1=O)CCCC2.
What is the InChIKey of 3-(1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride?
The InChIKey is VOPYRVKVNMMTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c16-14(18)8-5-11-9-10-3-1-2-4-13(10)17(15(11)19)12-6-7-12/h9,12H,1-8H2.
What are the key properties of 3-(1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride?
3-(1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride has a molecular weight of 279.77 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride is sourced from PubChem (CID 82522429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).