ethyl 8-ethoxyquinoline-3-carboxylate

C14H15NO3 — CID 122362443

IUPACethyl 8-ethoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OCC)cccc2c1
InChIInChI=1S/C14H15NO3/c1-3-17-12-7-5-6-10-8-11(9-15-13(10)12)14(16)18-4-2/h5-9H,3-4H2,1-2H3
InChIKeyWJYNUCYKJHQJED-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.81
Rot. Bonds4

About ethyl 8-ethoxyquinoline-3-carboxylate

ethyl 8-ethoxyquinoline-3-carboxylate (PubChem CID 122362443) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 8-ethoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-ethoxyquinoline-3-carboxylate
PubChem CID122362443
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl 8-ethoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OCC)cccc2c1
InChIInChI=1S/C14H15NO3/c1-3-17-12-7-5-6-10-8-11(9-15-13(10)12)14(16)18-4-2/h5-9H,3-4H2,1-2H3
InChIKeyWJYNUCYKJHQJED-UHFFFAOYSA-N
XLogP2.81
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8-fluoroquinoline-3-carboxylate
CID 15525332
3,8-diethoxyquinoline
CID 45094466
ethyl 8-methoxy-1,5-naphthyridine-3-carboxylate
CID 59256763
ethyl 3-amino-8-methoxyquinoline-6-carboxylate
CID 156872720
ethyl 3,4-diethoxybenzoate
CID 586407
ethyl 5-hydroxyquinoline-3-carboxylate
CID 135618214
ethyl 6-(dimethylamino)quinoline-3-carboxylate
CID 150996261
diethyl benzene-1,3-dicarboxylate
CID 12491
8-[(2,6-difluorophenyl)methoxy]quinoline-3-carboxylic acid
CID 118870240
ethyl 5-methoxyisoquinoline-3-carboxylate
CID 131699571
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
ethane;ethyl 6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),3,5,10,12(16),13-heptaene-4-carboxylate
CID 176977571

Frequently Asked Questions

What is the IUPAC name of ethyl 8-ethoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 8-ethoxyquinoline-3-carboxylate (CID 122362443) is ethyl 8-ethoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-ethoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 8-ethoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2c(OCC)cccc2c1.
What is the InChIKey of ethyl 8-ethoxyquinoline-3-carboxylate?
The InChIKey is WJYNUCYKJHQJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-17-12-7-5-6-10-8-11(9-15-13(10)12)14(16)18-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of ethyl 8-ethoxyquinoline-3-carboxylate?
ethyl 8-ethoxyquinoline-3-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-ethoxyquinoline-3-carboxylate is sourced from PubChem (CID 122362443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).