ethyl 2-hydroxy-2H-quinoline-1-carboxylate

C12H13NO3 — CID 19849647

IUPACethyl 2-hydroxy-2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1c2ccccc2C=CC1O
InChIInChI=1S/C12H13NO3/c1-2-16-12(15)13-10-6-4-3-5-9(10)7-8-11(13)14/h3-8,11,14H,2H2,1H3
InChIKeyYMMIPTDBIDNQLD-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.99
Rot. Bonds1

About ethyl 2-hydroxy-2H-quinoline-1-carboxylate

ethyl 2-hydroxy-2H-quinoline-1-carboxylate (PubChem CID 19849647) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 2-hydroxy-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2H-quinoline-1-carboxylate
PubChem CID19849647
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Nameethyl 2-hydroxy-2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1c2ccccc2C=CC1O
InChIInChI=1S/C12H13NO3/c1-2-16-12(15)13-10-6-4-3-5-9(10)7-8-11(13)14/h3-8,11,14H,2H2,1H3
InChIKeyYMMIPTDBIDNQLD-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2H-quinoline-1-carboxylate?
The IUPAC name of ethyl 2-hydroxy-2H-quinoline-1-carboxylate (CID 19849647) is ethyl 2-hydroxy-2H-quinoline-1-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-2H-quinoline-1-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-2H-quinoline-1-carboxylate is CCOC(=O)N1c2ccccc2C=CC1O.
What is the InChIKey of ethyl 2-hydroxy-2H-quinoline-1-carboxylate?
The InChIKey is YMMIPTDBIDNQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-16-12(15)13-10-6-4-3-5-9(10)7-8-11(13)14/h3-8,11,14H,2H2,1H3.
What are the key properties of ethyl 2-hydroxy-2H-quinoline-1-carboxylate?
ethyl 2-hydroxy-2H-quinoline-1-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2H-quinoline-1-carboxylate is sourced from PubChem (CID 19849647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).