prop-2-enyl 2-oxo-2-quinolin-6-ylacetate

C14H11NO3 — CID 68561786

IUPACprop-2-enyl 2-oxo-2-quinolin-6-ylacetate
SMILESC=CCOC(=O)C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H11NO3/c1-2-8-18-14(17)13(16)11-5-6-12-10(9-11)4-3-7-15-12/h2-7,9H,1,8H2
InChIKeyPWFOYULVFLEFRR-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.15
Rot. Bonds4

About prop-2-enyl 2-oxo-2-quinolin-6-ylacetate

prop-2-enyl 2-oxo-2-quinolin-6-ylacetate (PubChem CID 68561786) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is prop-2-enyl 2-oxo-2-quinolin-6-ylacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-oxo-2-quinolin-6-ylacetate
PubChem CID68561786
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Nameprop-2-enyl 2-oxo-2-quinolin-6-ylacetate
SMILESC=CCOC(=O)C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H11NO3/c1-2-8-18-14(17)13(16)11-5-6-12-10(9-11)4-3-7-15-12/h2-7,9H,1,8H2
InChIKeyPWFOYULVFLEFRR-UHFFFAOYSA-N
XLogP2.15
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl quinoline-3-carboxylate
CID 54359165
6-prop-2-enoxyquinoline
CID 21107330
N-cyclopropyl-N-prop-2-enylquinoline-6-carboxamide
CID 75399345
3-methoxy-4-prop-2-enoxy-N-quinolin-6-ylbenzamide
CID 60555760
ethane;quinoline-6-carboxylic acid
CID 91364452
ethyl (E)-3-quinolin-6-ylbut-2-enoate
CID 18761648
prop-2-enyl 8-aminoquinoline-6-carboxylate
CID 19390591
5-amino-1-quinolin-6-ylpentan-1-one
CID 116572003
1-(6-methoxy-2-pyridinyl)-2-quinolin-6-ylethane-1,2-dione
CID 59869037
2,2,2-trifluoro-1-quinolin-6-ylethanone
CID 66466769
2,2-dimethoxy-1-quinolin-6-ylethanone
CID 81221029
2-(methylamino)-1-quinolin-6-ylethanone
CID 84669481

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-oxo-2-quinolin-6-ylacetate?
The IUPAC name of prop-2-enyl 2-oxo-2-quinolin-6-ylacetate (CID 68561786) is prop-2-enyl 2-oxo-2-quinolin-6-ylacetate.
What is the SMILES notation for prop-2-enyl 2-oxo-2-quinolin-6-ylacetate?
The canonical SMILES for prop-2-enyl 2-oxo-2-quinolin-6-ylacetate is C=CCOC(=O)C(=O)c1ccc2ncccc2c1.
What is the InChIKey of prop-2-enyl 2-oxo-2-quinolin-6-ylacetate?
The InChIKey is PWFOYULVFLEFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-2-8-18-14(17)13(16)11-5-6-12-10(9-11)4-3-7-15-12/h2-7,9H,1,8H2.
What are the key properties of prop-2-enyl 2-oxo-2-quinolin-6-ylacetate?
prop-2-enyl 2-oxo-2-quinolin-6-ylacetate has a molecular weight of 241.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-oxo-2-quinolin-6-ylacetate is sourced from PubChem (CID 68561786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).