ethyl 2-oxo-3-quinolin-6-ylpropanoate

C14H13NO3 — CID 170993998

IUPACethyl 2-oxo-3-quinolin-6-ylpropanoate
SMILESCCOC(=O)C(=O)Cc1ccc2ncccc2c1
InChIInChI=1S/C14H13NO3/c1-2-18-14(17)13(16)9-10-5-6-12-11(8-10)4-3-7-15-12/h3-8H,2,9H2,1H3
InChIKeyALNLYQSSIBURMN-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.91
Rot. Bonds4

About ethyl 2-oxo-3-quinolin-6-ylpropanoate

ethyl 2-oxo-3-quinolin-6-ylpropanoate (PubChem CID 170993998) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is ethyl 2-oxo-3-quinolin-6-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-oxo-3-quinolin-6-ylpropanoate
PubChem CID170993998
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Nameethyl 2-oxo-3-quinolin-6-ylpropanoate
SMILESCCOC(=O)C(=O)Cc1ccc2ncccc2c1
InChIInChI=1S/C14H13NO3/c1-2-18-14(17)13(16)9-10-5-6-12-11(8-10)4-3-7-15-12/h3-8H,2,9H2,1H3
InChIKeyALNLYQSSIBURMN-UHFFFAOYSA-N
XLogP1.91
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R)-2-quinolin-6-ylpropanoate
CID 86328869
2-(4-methylphenyl)-1-quinolin-6-ylethanone
CID 63096314
ethyl (E)-3-quinolin-6-ylbut-2-enoate
CID 18761648
methyl 4-quinolin-6-ylbutanoate
CID 116997352
ethyl 3,4-dihydroxy-4-quinolin-6-ylbutanoate
CID 171897595
ethyl 2,2-difluoro-3-oxo-3-quinolin-6-ylpropanoate
CID 63095632
(2S,3R)-4,4,4-trifluoro-2-hydroxy-3-[(2-quinolin-6-ylacetyl)amino]butanoic acid
CID 166307660
ethyl 6-hydroxyquinoline-7-carboxylate
CID 133084141
N-ethyl-N-methyl-2-(quinolin-6-ylmethylamino)acetamide
CID 104923508
ethyl(quinolin-6-ylmethyl)phosphane
CID 142150955
ethane;ethylbenzene;6-ethylquinoline
CID 143817758
2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide
CID 86286582

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-3-quinolin-6-ylpropanoate?
The IUPAC name of ethyl 2-oxo-3-quinolin-6-ylpropanoate (CID 170993998) is ethyl 2-oxo-3-quinolin-6-ylpropanoate.
What is the SMILES notation for ethyl 2-oxo-3-quinolin-6-ylpropanoate?
The canonical SMILES for ethyl 2-oxo-3-quinolin-6-ylpropanoate is CCOC(=O)C(=O)Cc1ccc2ncccc2c1.
What is the InChIKey of ethyl 2-oxo-3-quinolin-6-ylpropanoate?
The InChIKey is ALNLYQSSIBURMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-2-18-14(17)13(16)9-10-5-6-12-11(8-10)4-3-7-15-12/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 2-oxo-3-quinolin-6-ylpropanoate?
ethyl 2-oxo-3-quinolin-6-ylpropanoate has a molecular weight of 243.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-3-quinolin-6-ylpropanoate is sourced from PubChem (CID 170993998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).