6-(2-chloroacetyl)-8-ethyl-3,4-dihydro-1H-quinolin-2-one

C13H14ClNO2 — CID 10911993

IUPAC6-(2-chloroacetyl)-8-ethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1cc(C(=O)CCl)cc2c1NC(=O)CC2
InChIInChI=1S/C13H14ClNO2/c1-2-8-5-10(11(16)7-14)6-9-3-4-12(17)15-13(8)9/h5-6H,2-4,7H2,1H3,(H,15,17)
InChIKeyGSIAAQHIQGFISZ-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.56
Rot. Bonds3

About 6-(2-chloroacetyl)-8-ethyl-3,4-dihydro-1H-quinolin-2-one

6-(2-chloroacetyl)-8-ethyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 10911993) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 6-(2-chloroacetyl)-8-ethyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-chloroacetyl)-8-ethyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID10911993
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name6-(2-chloroacetyl)-8-ethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1cc(C(=O)CCl)cc2c1NC(=O)CC2
InChIInChI=1S/C13H14ClNO2/c1-2-8-5-10(11(16)7-14)6-9-3-4-12(17)15-13(8)9/h5-6H,2-4,7H2,1H3,(H,15,17)
InChIKeyGSIAAQHIQGFISZ-UHFFFAOYSA-N
XLogP2.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(2-chloroacetyl)-8-ethyl-3,4-dihydro-1H-quinolin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

8-ethyl-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174002
8-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 11106499
8-ethyl-6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174009
[1-(8-ethyl-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidin-4-yl]-methyl-(2-phenylethyl)azanium;2-hydroxy-2-oxoacetate
CID 11762948
8-chloro-6-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 14268518
7-ethyl-5-methyl-1,3-dihydroindol-2-one
CID 142337583
7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174111
6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 79985526
N-(8-chloro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-ethylpyridine-4-carboxamide
CID 166091461
6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174262
8-(4-aminobutyl)-6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 82190820
8-(2-aminopropyl)-6-bromo-3,4-dihydro-1H-quinolin-2-one
CID 82190811

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroacetyl)-8-ethyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2-chloroacetyl)-8-ethyl-3,4-dihydro-1H-quinolin-2-one (CID 10911993) is 6-(2-chloroacetyl)-8-ethyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-chloroacetyl)-8-ethyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2-chloroacetyl)-8-ethyl-3,4-dihydro-1H-quinolin-2-one is CCc1cc(C(=O)CCl)cc2c1NC(=O)CC2.
What is the InChIKey of 6-(2-chloroacetyl)-8-ethyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GSIAAQHIQGFISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-2-8-5-10(11(16)7-14)6-9-3-4-12(17)15-13(8)9/h5-6H,2-4,7H2,1H3,(H,15,17).
What are the key properties of 6-(2-chloroacetyl)-8-ethyl-3,4-dihydro-1H-quinolin-2-one?
6-(2-chloroacetyl)-8-ethyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 251.71 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroacetyl)-8-ethyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 10911993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).