[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] cyclohex-3-ene-1-carboxylate

C18H19NO4 — CID 46811377

IUPAC[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] cyclohex-3-ene-1-carboxylate
SMILESO=C1CCc2cc(C(=O)COC(=O)C3CC=CCC3)ccc2N1
InChIInChI=1S/C18H19NO4/c20-16(11-23-18(22)12-4-2-1-3-5-12)14-6-8-15-13(10-14)7-9-17(21)19-15/h1-2,6,8,10,12H,3-5,7,9,11H2,(H,19,21)
InChIKeyGJOAPFZOXXPBKX-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.65
Rot. Bonds4

About [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] cyclohex-3-ene-1-carboxylate

[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] cyclohex-3-ene-1-carboxylate (PubChem CID 46811377) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] cyclohex-3-ene-1-carboxylate
PubChem CID46811377
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] cyclohex-3-ene-1-carboxylate
SMILESO=C1CCc2cc(C(=O)COC(=O)C3CC=CCC3)ccc2N1
InChIInChI=1S/C18H19NO4/c20-16(11-23-18(22)12-4-2-1-3-5-12)14-6-8-15-13(10-14)7-9-17(21)19-15/h1-2,6,8,10,12H,3-5,7,9,11H2,(H,19,21)
InChIKeyGJOAPFZOXXPBKX-UHFFFAOYSA-N
XLogP2.65
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] cyclohex-3-ene-1-carboxylate 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

[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9066215
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 8566933
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 46812376
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3,4-dimethylphenoxy)acetate
CID 55366724
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672957
6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160672
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-[ethyl(methyl)amino]benzoate
CID 71884386
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate
CID 9126270
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-phenylacetyl)amino]acetate
CID 55365962
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818941
6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 51183735
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701750

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] cyclohex-3-ene-1-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] cyclohex-3-ene-1-carboxylate (CID 46811377) is [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] cyclohex-3-ene-1-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] cyclohex-3-ene-1-carboxylate is O=C1CCc2cc(C(=O)COC(=O)C3CC=CCC3)ccc2N1.
What is the InChIKey of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] cyclohex-3-ene-1-carboxylate?
The InChIKey is GJOAPFZOXXPBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c20-16(11-23-18(22)12-4-2-1-3-5-12)14-6-8-15-13(10-14)7-9-17(21)19-15/h1-2,6,8,10,12H,3-5,7,9,11H2,(H,19,21).
What are the key properties of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] cyclohex-3-ene-1-carboxylate?
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] cyclohex-3-ene-1-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 46811377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).