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

C15H20ClNO2 — CID 82522513

IUPAC3-(2-oxo-1-propyl-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride
SMILESCCCn1c2c(cc(CCC(=O)Cl)c1=O)CCCC2
InChIInChI=1S/C15H20ClNO2/c1-2-9-17-13-6-4-3-5-11(13)10-12(15(17)19)7-8-14(16)18/h10H,2-9H2,1H3
InChIKeyBDMBWWMQMQGJQI-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.84
Rot. Bonds5

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

3-(2-oxo-1-propyl-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride (PubChem CID 82522513) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 3-(2-oxo-1-propyl-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride.

Molecular Properties

Compound Name3-(2-oxo-1-propyl-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride
PubChem CID82522513
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name3-(2-oxo-1-propyl-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride
SMILESCCCn1c2c(cc(CCC(=O)Cl)c1=O)CCCC2
InChIInChI=1S/C15H20ClNO2/c1-2-9-17-13-6-4-3-5-11(13)10-12(15(17)19)7-8-14(16)18/h10H,2-9H2,1H3
InChIKeyBDMBWWMQMQGJQI-UHFFFAOYSA-N
XLogP2.84
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-oxo-1-propyl-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride?
The IUPAC name of 3-(2-oxo-1-propyl-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride (CID 82522513) is 3-(2-oxo-1-propyl-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride.
What is the SMILES notation for 3-(2-oxo-1-propyl-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride?
The canonical SMILES for 3-(2-oxo-1-propyl-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride is CCCn1c2c(cc(CCC(=O)Cl)c1=O)CCCC2.
What is the InChIKey of 3-(2-oxo-1-propyl-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride?
The InChIKey is BDMBWWMQMQGJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-9-17-13-6-4-3-5-11(13)10-12(15(17)19)7-8-14(16)18/h10H,2-9H2,1H3.
What are the key properties of 3-(2-oxo-1-propyl-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride?
3-(2-oxo-1-propyl-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride has a molecular weight of 281.78 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1-propyl-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride is sourced from PubChem (CID 82522513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).