ethyl 5,6,7,8-tetrahydroquinoline-5-carboxylate

C12H15NO2 — CID 134691870

IUPACethyl 5,6,7,8-tetrahydroquinoline-5-carboxylate
SMILESCCOC(=O)C1CCCc2ncccc21
InChIInChI=1S/C12H15NO2/c1-2-15-12(14)10-5-3-7-11-9(10)6-4-8-13-11/h4,6,8,10H,2-3,5,7H2,1H3
InChIKeyLASVGBLKGZJXFX-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.06
Rot. Bonds2

About ethyl 5,6,7,8-tetrahydroquinoline-5-carboxylate

ethyl 5,6,7,8-tetrahydroquinoline-5-carboxylate (PubChem CID 134691870) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethyl 5,6,7,8-tetrahydroquinoline-5-carboxylate.

Molecular Properties

Compound Nameethyl 5,6,7,8-tetrahydroquinoline-5-carboxylate
PubChem CID134691870
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethyl 5,6,7,8-tetrahydroquinoline-5-carboxylate
SMILESCCOC(=O)C1CCCc2ncccc21
InChIInChI=1S/C12H15NO2/c1-2-15-12(14)10-5-3-7-11-9(10)6-4-8-13-11/h4,6,8,10H,2-3,5,7H2,1H3
InChIKeyLASVGBLKGZJXFX-UHFFFAOYSA-N
XLogP2.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,6,7,8-tetrahydroquinoline-5-carboxylate?
The IUPAC name of ethyl 5,6,7,8-tetrahydroquinoline-5-carboxylate (CID 134691870) is ethyl 5,6,7,8-tetrahydroquinoline-5-carboxylate.
What is the SMILES notation for ethyl 5,6,7,8-tetrahydroquinoline-5-carboxylate?
The canonical SMILES for ethyl 5,6,7,8-tetrahydroquinoline-5-carboxylate is CCOC(=O)C1CCCc2ncccc21.
What is the InChIKey of ethyl 5,6,7,8-tetrahydroquinoline-5-carboxylate?
The InChIKey is LASVGBLKGZJXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-15-12(14)10-5-3-7-11-9(10)6-4-8-13-11/h4,6,8,10H,2-3,5,7H2,1H3.
What are the key properties of ethyl 5,6,7,8-tetrahydroquinoline-5-carboxylate?
ethyl 5,6,7,8-tetrahydroquinoline-5-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6,7,8-tetrahydroquinoline-5-carboxylate is sourced from PubChem (CID 134691870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).