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

C12H15NO3 — CID 86614352

IUPACethyl 8-hydroxy-5,6,7,8-tetrahydroquinoline-6-carboxylate
SMILESCCOC(=O)C1Cc2cccnc2C(O)C1
InChIInChI=1S/C12H15NO3/c1-2-16-12(15)9-6-8-4-3-5-13-11(8)10(14)7-9/h3-5,9-10,14H,2,6-7H2,1H3
InChIKeyHUDDGUMZQXSIHF-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.24
Rot. Bonds2

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

ethyl 8-hydroxy-5,6,7,8-tetrahydroquinoline-6-carboxylate (PubChem CID 86614352) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 8-hydroxy-5,6,7,8-tetrahydroquinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-hydroxy-5,6,7,8-tetrahydroquinoline-6-carboxylate
PubChem CID86614352
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl 8-hydroxy-5,6,7,8-tetrahydroquinoline-6-carboxylate
SMILESCCOC(=O)C1Cc2cccnc2C(O)C1
InChIInChI=1S/C12H15NO3/c1-2-16-12(15)9-6-8-4-3-5-13-11(8)10(14)7-9/h3-5,9-10,14H,2,6-7H2,1H3
InChIKeyHUDDGUMZQXSIHF-UHFFFAOYSA-N
XLogP1.24
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-hydroxy-5,6,7,8-tetrahydroquinoline-6-carboxylate?
The IUPAC name of ethyl 8-hydroxy-5,6,7,8-tetrahydroquinoline-6-carboxylate (CID 86614352) is ethyl 8-hydroxy-5,6,7,8-tetrahydroquinoline-6-carboxylate.
What is the SMILES notation for ethyl 8-hydroxy-5,6,7,8-tetrahydroquinoline-6-carboxylate?
The canonical SMILES for ethyl 8-hydroxy-5,6,7,8-tetrahydroquinoline-6-carboxylate is CCOC(=O)C1Cc2cccnc2C(O)C1.
What is the InChIKey of ethyl 8-hydroxy-5,6,7,8-tetrahydroquinoline-6-carboxylate?
The InChIKey is HUDDGUMZQXSIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-16-12(15)9-6-8-4-3-5-13-11(8)10(14)7-9/h3-5,9-10,14H,2,6-7H2,1H3.
What are the key properties of ethyl 8-hydroxy-5,6,7,8-tetrahydroquinoline-6-carboxylate?
ethyl 8-hydroxy-5,6,7,8-tetrahydroquinoline-6-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-hydroxy-5,6,7,8-tetrahydroquinoline-6-carboxylate is sourced from PubChem (CID 86614352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).