ethyl 6-fluoro-2-methylquinoline-3-carboxylate

C13H12FNO2 — CID 663463

IUPACethyl 6-fluoro-2-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cc(F)ccc2nc1C
InChIInChI=1S/C13H12FNO2/c1-3-17-13(16)11-7-9-6-10(14)4-5-12(9)15-8(11)2/h4-7H,3H2,1-2H3
InChIKeyKISFDCXMMHLADD-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.86
Rot. Bonds2

About ethyl 6-fluoro-2-methylquinoline-3-carboxylate

ethyl 6-fluoro-2-methylquinoline-3-carboxylate (PubChem CID 663463) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is ethyl 6-fluoro-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-2-methylquinoline-3-carboxylate
PubChem CID663463
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Nameethyl 6-fluoro-2-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cc(F)ccc2nc1C
InChIInChI=1S/C13H12FNO2/c1-3-17-13(16)11-7-9-6-10(14)4-5-12(9)15-8(11)2/h4-7H,3H2,1-2H3
InChIKeyKISFDCXMMHLADD-UHFFFAOYSA-N
XLogP2.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-2-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-2-methylquinoline-3-carboxylate (CID 663463) is ethyl 6-fluoro-2-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-2-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-2-methylquinoline-3-carboxylate is CCOC(=O)c1cc2cc(F)ccc2nc1C.
What is the InChIKey of ethyl 6-fluoro-2-methylquinoline-3-carboxylate?
The InChIKey is KISFDCXMMHLADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-3-17-13(16)11-7-9-6-10(14)4-5-12(9)15-8(11)2/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 6-fluoro-2-methylquinoline-3-carboxylate?
ethyl 6-fluoro-2-methylquinoline-3-carboxylate has a molecular weight of 233.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 663463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).