ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate

C12H10ClNO4 — CID 54695868

IUPACethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C12H10ClNO4/c1-2-18-12(17)9-10(15)7-4-3-6(13)5-8(7)14-11(9)16/h3-5H,2H2,1H3,(H2,14,15,16)
InChIKeyAFUIBDSTNDKIDE-UHFFFAOYSA-N
MW267.67 g/mol
LogP2.06
Rot. Bonds2

About ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate

ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 54695868) has the molecular formula C12H10ClNO4 and a molecular weight of 267.67 g/mol. Its IUPAC name is ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
PubChem CID54695868
Molecular FormulaC12H10ClNO4
Molecular Weight267.67 g/mol
Exact Mass267.03
IUPAC Nameethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C12H10ClNO4/c1-2-18-12(17)9-10(15)7-4-3-6(13)5-8(7)14-11(9)16/h3-5H,2H2,1H3,(H2,14,15,16)
InChIKeyAFUIBDSTNDKIDE-UHFFFAOYSA-N
XLogP2.06
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate (CID 54695868) is ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O.
What is the InChIKey of ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is AFUIBDSTNDKIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4/c1-2-18-12(17)9-10(15)7-4-3-6(13)5-8(7)14-11(9)16/h3-5H,2H2,1H3,(H2,14,15,16).
What are the key properties of ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 267.67 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 54695868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).