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

C14H18ClNO2 — CID 82522472

IUPAC2-(2-oxo-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride
SMILESCC(C)n1c2c(cc(CC(=O)Cl)c1=O)CCCC2
InChIInChI=1S/C14H18ClNO2/c1-9(2)16-12-6-4-3-5-10(12)7-11(14(16)18)8-13(15)17/h7,9H,3-6,8H2,1-2H3
InChIKeyUUSRXYHCVRYKDC-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.62
Rot. Bonds3

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

2-(2-oxo-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride (PubChem CID 82522472) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(2-oxo-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride.

Molecular Properties

Compound Name2-(2-oxo-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride
PubChem CID82522472
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(2-oxo-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride
SMILESCC(C)n1c2c(cc(CC(=O)Cl)c1=O)CCCC2
InChIInChI=1S/C14H18ClNO2/c1-9(2)16-12-6-4-3-5-10(12)7-11(14(16)18)8-13(15)17/h7,9H,3-6,8H2,1-2H3
InChIKeyUUSRXYHCVRYKDC-UHFFFAOYSA-N
XLogP2.62
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.62
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 2-(2-oxo-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride?
The IUPAC name of 2-(2-oxo-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride (CID 82522472) is 2-(2-oxo-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride.
What is the SMILES notation for 2-(2-oxo-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride?
The canonical SMILES for 2-(2-oxo-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride is CC(C)n1c2c(cc(CC(=O)Cl)c1=O)CCCC2.
What is the InChIKey of 2-(2-oxo-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride?
The InChIKey is UUSRXYHCVRYKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-9(2)16-12-6-4-3-5-10(12)7-11(14(16)18)8-13(15)17/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 2-(2-oxo-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride?
2-(2-oxo-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride has a molecular weight of 267.76 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride is sourced from PubChem (CID 82522472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).