2-chloro-3-ethyl-6,7-dihydro-5H-quinolin-8-one

C11H12ClNO — CID 91617307

IUPAC2-chloro-3-ethyl-6,7-dihydro-5H-quinolin-8-one
SMILESCCc1cc2c(nc1Cl)C(=O)CCC2
InChIInChI=1S/C11H12ClNO/c1-2-7-6-8-4-3-5-9(14)10(8)13-11(7)12/h6H,2-5H2,1H3
InChIKeyGJVKVUUVFOJBRL-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.82
Rot. Bonds1

About 2-chloro-3-ethyl-6,7-dihydro-5H-quinolin-8-one

2-chloro-3-ethyl-6,7-dihydro-5H-quinolin-8-one (PubChem CID 91617307) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-chloro-3-ethyl-6,7-dihydro-5H-quinolin-8-one.

Molecular Properties

Compound Name2-chloro-3-ethyl-6,7-dihydro-5H-quinolin-8-one
PubChem CID91617307
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name2-chloro-3-ethyl-6,7-dihydro-5H-quinolin-8-one
SMILESCCc1cc2c(nc1Cl)C(=O)CCC2
InChIInChI=1S/C11H12ClNO/c1-2-7-6-8-4-3-5-9(14)10(8)13-11(7)12/h6H,2-5H2,1H3
InChIKeyGJVKVUUVFOJBRL-UHFFFAOYSA-N
XLogP2.82
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-3-ethyl-6,7-dihydro-5H-quinolin-8-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

3-(2-Chloroquinolin-3-yl)-1-phenylprop-2-en-1-one
CID 6112225
1-(6-Acetyl-4-chloropyridin-2-yl)ethan-1-one
CID 10821768
8-Quinolinone,6,7,8-tetrahydro-7-(phenylmethylene)-
CID 5470385
1-(Quinolin-2-yl)ethan-1-one
CID 318703
2-Chloro-5,6,7,8-tetrahydroquinolin-8-one
CID 14680112
3-(2-Chlorophenyl)-1-(2-methyl-5,6,7,8-tetrahydro-3-quinolinyl)-2-propen-1-one
CID 5720071
(3E)-3-benzylidene-9-butyl-1,2,5,6,7,8-hexahydroacridin-4-one
CID 5467338
2-(4-Chlorobenzoyl)-quinoline
CID 12495545
9-Butyl-2,3,5,6,7,8-hexahydro-4(1H)-acridinone
CID 373775
2-Chloro-3-acetylquinoline
CID 13301747
2-Chloro-5,6,7,8-tetrahydroquinolin-5-one
CID 592839
3-(2-Chloro-8-methylquinolin-3-yl)-1-phenylprop-2-en-1-one
CID 5766225

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethyl-6,7-dihydro-5H-quinolin-8-one?
The IUPAC name of 2-chloro-3-ethyl-6,7-dihydro-5H-quinolin-8-one (CID 91617307) is 2-chloro-3-ethyl-6,7-dihydro-5H-quinolin-8-one.
What is the SMILES notation for 2-chloro-3-ethyl-6,7-dihydro-5H-quinolin-8-one?
The canonical SMILES for 2-chloro-3-ethyl-6,7-dihydro-5H-quinolin-8-one is CCc1cc2c(nc1Cl)C(=O)CCC2.
What is the InChIKey of 2-chloro-3-ethyl-6,7-dihydro-5H-quinolin-8-one?
The InChIKey is GJVKVUUVFOJBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-2-7-6-8-4-3-5-9(14)10(8)13-11(7)12/h6H,2-5H2,1H3.
What are the key properties of 2-chloro-3-ethyl-6,7-dihydro-5H-quinolin-8-one?
2-chloro-3-ethyl-6,7-dihydro-5H-quinolin-8-one has a molecular weight of 209.68 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethyl-6,7-dihydro-5H-quinolin-8-one is sourced from PubChem (CID 91617307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).