ethyl 5-fluoro-6-methyl-1,2-dihydroquinoline-3-carboxylate

C13H14FNO2 — CID 71527214

IUPACethyl 5-fluoro-6-methyl-1,2-dihydroquinoline-3-carboxylate
SMILESCCOC(=O)C1=Cc2c(ccc(C)c2F)NC1
InChIInChI=1S/C13H14FNO2/c1-3-17-13(16)9-6-10-11(15-7-9)5-4-8(2)12(10)14/h4-6,15H,3,7H2,1-2H3
InChIKeyLKYPQWLQKCHMCV-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.51
Rot. Bonds2

About ethyl 5-fluoro-6-methyl-1,2-dihydroquinoline-3-carboxylate

ethyl 5-fluoro-6-methyl-1,2-dihydroquinoline-3-carboxylate (PubChem CID 71527214) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is ethyl 5-fluoro-6-methyl-1,2-dihydroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-6-methyl-1,2-dihydroquinoline-3-carboxylate
PubChem CID71527214
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Nameethyl 5-fluoro-6-methyl-1,2-dihydroquinoline-3-carboxylate
SMILESCCOC(=O)C1=Cc2c(ccc(C)c2F)NC1
InChIInChI=1S/C13H14FNO2/c1-3-17-13(16)9-6-10-11(15-7-9)5-4-8(2)12(10)14/h4-6,15H,3,7H2,1-2H3
InChIKeyLKYPQWLQKCHMCV-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1,2-dihydrobenzo[h]quinoline-3-carboxylate
CID 71527325
ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
CID 67531102
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 2,6-difluorobenzoate
CID 519631
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
ethyl 5-(2,3-difluoro-4-methylphenyl)-2H-triazole-4-carboxylate
CID 169401605
ethyl 2,3,6-trimethylbenzoate
CID 13126297
ethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate
CID 46311365
ethyl 5-methyl-2H-pyrrole-3-carboxylate
CID 58158190
ethyl 1H-indene-2-carboxylate
CID 15378309
diethyl 1-(4-fluorophenyl)-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 71598928
ethyl 2,3-difluorobenzoate
CID 2761174

Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-6-methyl-1,2-dihydroquinoline-3-carboxylate?
The IUPAC name of ethyl 5-fluoro-6-methyl-1,2-dihydroquinoline-3-carboxylate (CID 71527214) is ethyl 5-fluoro-6-methyl-1,2-dihydroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-6-methyl-1,2-dihydroquinoline-3-carboxylate?
The canonical SMILES for ethyl 5-fluoro-6-methyl-1,2-dihydroquinoline-3-carboxylate is CCOC(=O)C1=Cc2c(ccc(C)c2F)NC1.
What is the InChIKey of ethyl 5-fluoro-6-methyl-1,2-dihydroquinoline-3-carboxylate?
The InChIKey is LKYPQWLQKCHMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-3-17-13(16)9-6-10-11(15-7-9)5-4-8(2)12(10)14/h4-6,15H,3,7H2,1-2H3.
What are the key properties of ethyl 5-fluoro-6-methyl-1,2-dihydroquinoline-3-carboxylate?
ethyl 5-fluoro-6-methyl-1,2-dihydroquinoline-3-carboxylate has a molecular weight of 235.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-6-methyl-1,2-dihydroquinoline-3-carboxylate is sourced from PubChem (CID 71527214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).