ethyl 3-hydroxyquinoline-2-carboxylate

C12H11NO3 — CID 19692231

IUPACethyl 3-hydroxyquinoline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2cc1O
InChIInChI=1S/C12H11NO3/c1-2-16-12(15)11-10(14)7-8-5-3-4-6-9(8)13-11/h3-7,14H,2H2,1H3
InChIKeyYEMPERUHXORKOO-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.12
Rot. Bonds2

About ethyl 3-hydroxyquinoline-2-carboxylate

ethyl 3-hydroxyquinoline-2-carboxylate (PubChem CID 19692231) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is ethyl 3-hydroxyquinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxyquinoline-2-carboxylate
PubChem CID19692231
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Nameethyl 3-hydroxyquinoline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2cc1O
InChIInChI=1S/C12H11NO3/c1-2-16-12(15)11-10(14)7-8-5-3-4-6-9(8)13-11/h3-7,14H,2H2,1H3
InChIKeyYEMPERUHXORKOO-UHFFFAOYSA-N
XLogP2.12
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxyquinoline-2-carboxylate?
The IUPAC name of ethyl 3-hydroxyquinoline-2-carboxylate (CID 19692231) is ethyl 3-hydroxyquinoline-2-carboxylate.
What is the SMILES notation for ethyl 3-hydroxyquinoline-2-carboxylate?
The canonical SMILES for ethyl 3-hydroxyquinoline-2-carboxylate is CCOC(=O)c1nc2ccccc2cc1O.
What is the InChIKey of ethyl 3-hydroxyquinoline-2-carboxylate?
The InChIKey is YEMPERUHXORKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-16-12(15)11-10(14)7-8-5-3-4-6-9(8)13-11/h3-7,14H,2H2,1H3.
What are the key properties of ethyl 3-hydroxyquinoline-2-carboxylate?
ethyl 3-hydroxyquinoline-2-carboxylate has a molecular weight of 217.22 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxyquinoline-2-carboxylate is sourced from PubChem (CID 19692231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).