ethyl 3-cyclopropylquinoline-6-carboxylate

C15H15NO2 — CID 139487727

IUPACethyl 3-cyclopropylquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2ncc(C3CC3)cc2c1
InChIInChI=1S/C15H15NO2/c1-2-18-15(17)11-5-6-14-12(7-11)8-13(9-16-14)10-3-4-10/h5-10H,2-4H2,1H3
InChIKeyWPGNRBQZENIPJZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.29
Rot. Bonds3

About ethyl 3-cyclopropylquinoline-6-carboxylate

ethyl 3-cyclopropylquinoline-6-carboxylate (PubChem CID 139487727) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl 3-cyclopropylquinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyclopropylquinoline-6-carboxylate
PubChem CID139487727
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Nameethyl 3-cyclopropylquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2ncc(C3CC3)cc2c1
InChIInChI=1S/C15H15NO2/c1-2-18-15(17)11-5-6-14-12(7-11)8-13(9-16-14)10-3-4-10/h5-10H,2-4H2,1H3
InChIKeyWPGNRBQZENIPJZ-UHFFFAOYSA-N
XLogP3.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-(dimethylamino)quinoline-3-carboxylate
CID 150996261
ethyl 3-methoxyquinoxaline-6-carboxylate
CID 89443102
ethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate
CID 150911210
ethyl 2-ethylquinoline-6-carboxylate
CID 142697026
ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate
CID 175538196
ethyl 6-[(1-methylpiperidin-4-yl)methylamino]quinoline-3-carboxylate
CID 150591604
ethyl 2-cyclopropyl-1H-indole-5-carboxylate
CID 155891220
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
6-(chloromethyl)-3-cyclopropylquinoline
CID 134178572
ethyl 3-(1-methylpiperidin-4-yl)benzoate
CID 116988913
ethyl 6-methyl-4-quinolin-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 102393293

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopropylquinoline-6-carboxylate?
The IUPAC name of ethyl 3-cyclopropylquinoline-6-carboxylate (CID 139487727) is ethyl 3-cyclopropylquinoline-6-carboxylate.
What is the SMILES notation for ethyl 3-cyclopropylquinoline-6-carboxylate?
The canonical SMILES for ethyl 3-cyclopropylquinoline-6-carboxylate is CCOC(=O)c1ccc2ncc(C3CC3)cc2c1.
What is the InChIKey of ethyl 3-cyclopropylquinoline-6-carboxylate?
The InChIKey is WPGNRBQZENIPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-18-15(17)11-5-6-14-12(7-11)8-13(9-16-14)10-3-4-10/h5-10H,2-4H2,1H3.
What are the key properties of ethyl 3-cyclopropylquinoline-6-carboxylate?
ethyl 3-cyclopropylquinoline-6-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopropylquinoline-6-carboxylate is sourced from PubChem (CID 139487727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).