6-(cyclohex-3-ene-1-carbonyl)-3-ethyl-1H-quinolin-2-one

C18H19NO2 — CID 118258439

IUPAC6-(cyclohex-3-ene-1-carbonyl)-3-ethyl-1H-quinolin-2-one
SMILESCCc1cc2cc(C(=O)C3CC=CCC3)ccc2[nH]c1=O
InChIInChI=1S/C18H19NO2/c1-2-12-10-15-11-14(8-9-16(15)19-18(12)21)17(20)13-6-4-3-5-7-13/h3-4,8-11,13H,2,5-7H2,1H3,(H,19,21)
InChIKeySIBPLWSJEBJOHX-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.63
Rot. Bonds3

About 6-(cyclohex-3-ene-1-carbonyl)-3-ethyl-1H-quinolin-2-one

6-(cyclohex-3-ene-1-carbonyl)-3-ethyl-1H-quinolin-2-one (PubChem CID 118258439) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-(cyclohex-3-ene-1-carbonyl)-3-ethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(cyclohex-3-ene-1-carbonyl)-3-ethyl-1H-quinolin-2-one
PubChem CID118258439
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name6-(cyclohex-3-ene-1-carbonyl)-3-ethyl-1H-quinolin-2-one
SMILESCCc1cc2cc(C(=O)C3CC=CCC3)ccc2[nH]c1=O
InChIInChI=1S/C18H19NO2/c1-2-12-10-15-11-14(8-9-16(15)19-18(12)21)17(20)13-6-4-3-5-7-13/h3-4,8-11,13H,2,5-7H2,1H3,(H,19,21)
InChIKeySIBPLWSJEBJOHX-UHFFFAOYSA-N
XLogP3.63
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(cyclohex-3-ene-1-carbonyl)-3-ethyl-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

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohex-3-ene-1-carbonyl)-3-ethyl-1H-quinolin-2-one?
The IUPAC name of 6-(cyclohex-3-ene-1-carbonyl)-3-ethyl-1H-quinolin-2-one (CID 118258439) is 6-(cyclohex-3-ene-1-carbonyl)-3-ethyl-1H-quinolin-2-one.
What is the SMILES notation for 6-(cyclohex-3-ene-1-carbonyl)-3-ethyl-1H-quinolin-2-one?
The canonical SMILES for 6-(cyclohex-3-ene-1-carbonyl)-3-ethyl-1H-quinolin-2-one is CCc1cc2cc(C(=O)C3CC=CCC3)ccc2[nH]c1=O.
What is the InChIKey of 6-(cyclohex-3-ene-1-carbonyl)-3-ethyl-1H-quinolin-2-one?
The InChIKey is SIBPLWSJEBJOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-12-10-15-11-14(8-9-16(15)19-18(12)21)17(20)13-6-4-3-5-7-13/h3-4,8-11,13H,2,5-7H2,1H3,(H,19,21).
What are the key properties of 6-(cyclohex-3-ene-1-carbonyl)-3-ethyl-1H-quinolin-2-one?
6-(cyclohex-3-ene-1-carbonyl)-3-ethyl-1H-quinolin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohex-3-ene-1-carbonyl)-3-ethyl-1H-quinolin-2-one is sourced from PubChem (CID 118258439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).