[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate

C18H19NO4 — CID 9066215

IUPAC[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
SMILESO=C1CCc2cc(C(=O)COC(=O)C[C@@H]3C=CCC3)ccc2N1
InChIInChI=1S/C18H19NO4/c20-16(11-23-18(22)9-12-3-1-2-4-12)14-5-7-15-13(10-14)6-8-17(21)19-15/h1,3,5,7,10,12H,2,4,6,8-9,11H2,(H,19,21)/t12-/m1/s1
InChIKeyNLHFFVGYNDFTLB-GFCCVEGCSA-N
MW313.35 g/mol
LogP2.65
Rot. Bonds5

About [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate

[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate (PubChem CID 9066215) 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] 2-[(1R)-cyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
PubChem CID9066215
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] 2-[(1R)-cyclopent-2-en-1-yl]acetate
SMILESO=C1CCc2cc(C(=O)COC(=O)C[C@@H]3C=CCC3)ccc2N1
InChIInChI=1S/C18H19NO4/c20-16(11-23-18(22)9-12-3-1-2-4-12)14-5-7-15-13(10-14)6-8-17(21)19-15/h1,3,5,7,10,12H,2,4,6,8-9,11H2,(H,19,21)/t12-/m1/s1
InChIKeyNLHFFVGYNDFTLB-GFCCVEGCSA-N
XLogP2.65
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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] 2-[(1R)-cyclopent-2-en-1-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] cyclohex-3-ene-1-carboxylate
CID 46811377
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 8999661
[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] 2-[(2-phenylacetyl)amino]acetate
CID 55365962
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667589
[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] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672957
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701750
[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] 4-[ethyl(methyl)amino]benzoate
CID 71884386
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818941
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-ethoxy-4-methoxybenzoate
CID 9484719

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate?
The IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate (CID 9066215) is [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate.
What is the SMILES notation for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate?
The canonical SMILES for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate is O=C1CCc2cc(C(=O)COC(=O)C[C@@H]3C=CCC3)ccc2N1.
What is the InChIKey of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate?
The InChIKey is NLHFFVGYNDFTLB-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19NO4/c20-16(11-23-18(22)9-12-3-1-2-4-12)14-5-7-15-13(10-14)6-8-17(21)19-15/h1,3,5,7,10,12H,2,4,6,8-9,11H2,(H,19,21)/t12-/m1/s1.
What are the key properties of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate?
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate has a molecular weight of 313.35 g/mol, XLogP of 2.65, 5 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] 2-[(1R)-cyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 9066215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).