2-ethenoxyethyl quinoline-4-carboxylate

C14H13NO3 — CID 75521590

IUPAC2-ethenoxyethyl quinoline-4-carboxylate
SMILESC=COCCOC(=O)c1ccnc2ccccc12
InChIInChI=1S/C14H13NO3/c1-2-17-9-10-18-14(16)12-7-8-15-13-6-4-3-5-11(12)13/h2-8H,1,9-10H2
InChIKeyIXQSDYTUJHNMQJ-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.55
Rot. Bonds5

About 2-ethenoxyethyl quinoline-4-carboxylate

2-ethenoxyethyl quinoline-4-carboxylate (PubChem CID 75521590) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-ethenoxyethyl quinoline-4-carboxylate.

Molecular Properties

Compound Name2-ethenoxyethyl quinoline-4-carboxylate
PubChem CID75521590
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-ethenoxyethyl quinoline-4-carboxylate
SMILESC=COCCOC(=O)c1ccnc2ccccc12
InChIInChI=1S/C14H13NO3/c1-2-17-9-10-18-14(16)12-7-8-15-13-6-4-3-5-11(12)13/h2-8H,1,9-10H2
InChIKeyIXQSDYTUJHNMQJ-UHFFFAOYSA-N
XLogP2.55
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-ylethyl quinoline-4-carboxylate
CID 127257422
2-pyridin-3-ylethyl quinoline-4-carboxylate
CID 127257423
4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one
CID 105131611
[2,3,4-trimethoxy-5-(3-methoxypropyl)phenyl] quinoline-4-carboxylate
CID 87787345
2-bromo-1-quinolin-4-ylethanone;hydrobromide
CID 86652931
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] quinoline-4-carboxylate
CID 78815301
[(2R)-2-amino-3-phenylpropyl] quinoline-4-carboperoxoate
CID 176874481
ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
CID 110694883
1-quinolin-4-ylbut-3-yn-1-one
CID 105076388
prop-2-enyl 5-aminoquinoline-4-carboxylate
CID 19390597
N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013
quinoline-4-carbonyl cyanide
CID 119091066

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxyethyl quinoline-4-carboxylate?
The IUPAC name of 2-ethenoxyethyl quinoline-4-carboxylate (CID 75521590) is 2-ethenoxyethyl quinoline-4-carboxylate.
What is the SMILES notation for 2-ethenoxyethyl quinoline-4-carboxylate?
The canonical SMILES for 2-ethenoxyethyl quinoline-4-carboxylate is C=COCCOC(=O)c1ccnc2ccccc12.
What is the InChIKey of 2-ethenoxyethyl quinoline-4-carboxylate?
The InChIKey is IXQSDYTUJHNMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-2-17-9-10-18-14(16)12-7-8-15-13-6-4-3-5-11(12)13/h2-8H,1,9-10H2.
What are the key properties of 2-ethenoxyethyl quinoline-4-carboxylate?
2-ethenoxyethyl quinoline-4-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxyethyl quinoline-4-carboxylate is sourced from PubChem (CID 75521590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).