ethyl 6-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate

C13H14FNO3 — CID 155932585

IUPACethyl 6-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate
SMILESCCOC(=O)C1CC(=O)N(C)c2ccc(F)cc21
InChIInChI=1S/C13H14FNO3/c1-3-18-13(17)10-7-12(16)15(2)11-5-4-8(14)6-9(10)11/h4-6,10H,3,7H2,1-2H3
InChIKeyBHBAELLFRVMJDH-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.84
Rot. Bonds2

About ethyl 6-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate

ethyl 6-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate (PubChem CID 155932585) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is ethyl 6-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate
PubChem CID155932585
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Nameethyl 6-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate
SMILESCCOC(=O)C1CC(=O)N(C)c2ccc(F)cc21
InChIInChI=1S/C13H14FNO3/c1-3-18-13(17)10-7-12(16)15(2)11-5-4-8(14)6-9(10)11/h4-6,10H,3,7H2,1-2H3
InChIKeyBHBAELLFRVMJDH-UHFFFAOYSA-N
XLogP1.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 589850
1-Butyl-2-oxo-1,2,3,4-tetrahydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44363404
Methyl 1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 10631570
Ethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 12415760
7-Fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 16227617
Ethyl 2,3-dioxo-1,4-dihydroquinoline-4-carboxylate
CID 24039363
1-Methyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 16227555
1-[(Tert-butoxy)carbonyl]-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 80503813
1-Methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid hydrochloride
CID 122163982
diethyl 6-fluoro-1-methyl-2-oxo-3H-quinoline-4,4-dicarboxylate
CID 44518074
ethyl (4S)-1,4-dibenzyl-6-fluoro-2,3-dioxoquinoline-4-carboxylate
CID 102347344
methyl (4R)-1,4-dimethyl-2-oxo-6-(trifluoromethyl)-3H-quinoline-4-carboxylate
CID 132572006

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate?
The IUPAC name of ethyl 6-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate (CID 155932585) is ethyl 6-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate?
The canonical SMILES for ethyl 6-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate is CCOC(=O)C1CC(=O)N(C)c2ccc(F)cc21.
What is the InChIKey of ethyl 6-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate?
The InChIKey is BHBAELLFRVMJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-3-18-13(17)10-7-12(16)15(2)11-5-4-8(14)6-9(10)11/h4-6,10H,3,7H2,1-2H3.
What are the key properties of ethyl 6-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate?
ethyl 6-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate has a molecular weight of 251.26 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate is sourced from PubChem (CID 155932585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).