ethyl 8-chloro-2-oxo-1H-quinoline-4-carboxylate

C12H10ClNO3 — CID 4772724

IUPACethyl 8-chloro-2-oxo-1H-quinoline-4-carboxylate
SMILESCCOC(=O)c1cc(=O)[nH]c2c(Cl)cccc12
InChIInChI=1S/C12H10ClNO3/c1-2-17-12(16)8-6-10(15)14-11-7(8)4-3-5-9(11)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyBEUKHWIXLIYKAD-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.36
Rot. Bonds2

About ethyl 8-chloro-2-oxo-1H-quinoline-4-carboxylate

ethyl 8-chloro-2-oxo-1H-quinoline-4-carboxylate (PubChem CID 4772724) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is ethyl 8-chloro-2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 8-chloro-2-oxo-1H-quinoline-4-carboxylate
PubChem CID4772724
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Nameethyl 8-chloro-2-oxo-1H-quinoline-4-carboxylate
SMILESCCOC(=O)c1cc(=O)[nH]c2c(Cl)cccc12
InChIInChI=1S/C12H10ClNO3/c1-2-17-12(16)8-6-10(15)14-11-7(8)4-3-5-9(11)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyBEUKHWIXLIYKAD-UHFFFAOYSA-N
XLogP2.36
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-2-oxo-1H-quinoline-4-carboxylic acid
CID 670543
8-chloro-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 53016607
ethyl 2-oxo-1H-1,8-naphthyridine-4-carboxylate
CID 76849396
(2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 895054
ethyl 2-methyl-4-oxo-1H-quinoline-8-carboxylate
CID 905569
ethyl 5-chloro-2-(6-oxo-1H-pyridin-2-yl)benzoate
CID 122358417
ethyl 8-chloro-4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylate
CID 142432610
ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate
CID 162422252
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 2-(8-chloro-9H-carbazol-2-yl)acetate
CID 154120710
ethyl 2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 62022661
ethyl 3-chloro-2-(methylamino)benzoate
CID 23093512

Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of ethyl 8-chloro-2-oxo-1H-quinoline-4-carboxylate (CID 4772724) is ethyl 8-chloro-2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for ethyl 8-chloro-2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for ethyl 8-chloro-2-oxo-1H-quinoline-4-carboxylate is CCOC(=O)c1cc(=O)[nH]c2c(Cl)cccc12.
What is the InChIKey of ethyl 8-chloro-2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is BEUKHWIXLIYKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-2-17-12(16)8-6-10(15)14-11-7(8)4-3-5-9(11)13/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of ethyl 8-chloro-2-oxo-1H-quinoline-4-carboxylate?
ethyl 8-chloro-2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 251.67 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloro-2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 4772724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).