methyl 6-fluoro-8-methylquinoline-2-carboxylate

C12H10FNO2 — CID 51361074

IUPACmethyl 6-fluoro-8-methylquinoline-2-carboxylate
SMILESCOC(=O)c1ccc2cc(F)cc(C)c2n1
InChIInChI=1S/C12H10FNO2/c1-7-5-9(13)6-8-3-4-10(12(15)16-2)14-11(7)8/h3-6H,1-2H3
InChIKeyZVRRGHDKLDYIKY-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.47
Rot. Bonds1

About methyl 6-fluoro-8-methylquinoline-2-carboxylate

methyl 6-fluoro-8-methylquinoline-2-carboxylate (PubChem CID 51361074) has the molecular formula C12H10FNO2 and a molecular weight of 219.21 g/mol. Its IUPAC name is methyl 6-fluoro-8-methylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-8-methylquinoline-2-carboxylate
PubChem CID51361074
Molecular FormulaC12H10FNO2
Molecular Weight219.21 g/mol
Exact Mass219.07
IUPAC Namemethyl 6-fluoro-8-methylquinoline-2-carboxylate
SMILESCOC(=O)c1ccc2cc(F)cc(C)c2n1
InChIInChI=1S/C12H10FNO2/c1-7-5-9(13)6-8-3-4-10(12(15)16-2)14-11(7)8/h3-6H,1-2H3
InChIKeyZVRRGHDKLDYIKY-UHFFFAOYSA-N
XLogP2.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-8-methylquinoline-2-carboxylate?
The IUPAC name of methyl 6-fluoro-8-methylquinoline-2-carboxylate (CID 51361074) is methyl 6-fluoro-8-methylquinoline-2-carboxylate.
What is the SMILES notation for methyl 6-fluoro-8-methylquinoline-2-carboxylate?
The canonical SMILES for methyl 6-fluoro-8-methylquinoline-2-carboxylate is COC(=O)c1ccc2cc(F)cc(C)c2n1.
What is the InChIKey of methyl 6-fluoro-8-methylquinoline-2-carboxylate?
The InChIKey is ZVRRGHDKLDYIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c1-7-5-9(13)6-8-3-4-10(12(15)16-2)14-11(7)8/h3-6H,1-2H3.
What are the key properties of methyl 6-fluoro-8-methylquinoline-2-carboxylate?
methyl 6-fluoro-8-methylquinoline-2-carboxylate has a molecular weight of 219.21 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-8-methylquinoline-2-carboxylate is sourced from PubChem (CID 51361074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).