ethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate

C14H14ClNO3 — CID 19735198

IUPACethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2c(CC)cc(Cl)cc2[nH]1
InChIInChI=1S/C14H14ClNO3/c1-3-8-5-9(15)6-10-13(8)12(17)7-11(16-10)14(18)19-4-2/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyOKVBSAQMVSSSMW-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.92
Rot. Bonds3

About ethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate

ethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate (PubChem CID 19735198) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is ethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate
PubChem CID19735198
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Nameethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2c(CC)cc(Cl)cc2[nH]1
InChIInChI=1S/C14H14ClNO3/c1-3-8-5-9(15)6-10-13(8)12(17)7-11(16-10)14(18)19-4-2/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyOKVBSAQMVSSSMW-UHFFFAOYSA-N
XLogP2.92
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 7-bromo-5-ethyl-4-oxo-1H-quinoline-2-carboxylate
CID 19735211
ethyl 1,2,5-trimethyl-9-oxo-3,6-dihydropyrrolo[3,2-f]quinoline-7-carboxylate
CID 91735958
ethyl 4-oxo-5-propan-2-yl-1H-quinoline-2-carboxylate
CID 19735183
methyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
CID 54726653
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
ethyl 4-chloro-5-methyl-1H-pyrrole-2-carboxylate
CID 66707189
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 22425219
ethyl 4-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate
CID 123135299
5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid
CID 1779
2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate
CID 58959693
ethyl 6-(cyanomethyl)-4-oxo-1H-quinoline-2-carboxylate
CID 117060106

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of ethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate (CID 19735198) is ethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for ethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for ethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate is CCOC(=O)c1cc(=O)c2c(CC)cc(Cl)cc2[nH]1.
What is the InChIKey of ethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is OKVBSAQMVSSSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-3-8-5-9(15)6-10-13(8)12(17)7-11(16-10)14(18)19-4-2/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of ethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate?
ethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 279.72 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 19735198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).