methyl 6-fluoro-4-phenylmethoxyquinoline-2-carboxylate

C18H14FNO3 — CID 53113139

IUPACmethyl 6-fluoro-4-phenylmethoxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2)c2cc(F)ccc2n1
InChIInChI=1S/C18H14FNO3/c1-22-18(21)16-10-17(23-11-12-5-3-2-4-6-12)14-9-13(19)7-8-15(14)20-16/h2-10H,11H2,1H3
InChIKeyOUSRKNVKJSIODV-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.74
Rot. Bonds4

About methyl 6-fluoro-4-phenylmethoxyquinoline-2-carboxylate

methyl 6-fluoro-4-phenylmethoxyquinoline-2-carboxylate (PubChem CID 53113139) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is methyl 6-fluoro-4-phenylmethoxyquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-4-phenylmethoxyquinoline-2-carboxylate
PubChem CID53113139
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Namemethyl 6-fluoro-4-phenylmethoxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2)c2cc(F)ccc2n1
InChIInChI=1S/C18H14FNO3/c1-22-18(21)16-10-17(23-11-12-5-3-2-4-6-12)14-9-13(19)7-8-15(14)20-16/h2-10H,11H2,1H3
InChIKeyOUSRKNVKJSIODV-UHFFFAOYSA-N
XLogP3.74
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-4-phenylmethoxyquinoline-2-carboxylate?
The IUPAC name of methyl 6-fluoro-4-phenylmethoxyquinoline-2-carboxylate (CID 53113139) is methyl 6-fluoro-4-phenylmethoxyquinoline-2-carboxylate.
What is the SMILES notation for methyl 6-fluoro-4-phenylmethoxyquinoline-2-carboxylate?
The canonical SMILES for methyl 6-fluoro-4-phenylmethoxyquinoline-2-carboxylate is COC(=O)c1cc(OCc2ccccc2)c2cc(F)ccc2n1.
What is the InChIKey of methyl 6-fluoro-4-phenylmethoxyquinoline-2-carboxylate?
The InChIKey is OUSRKNVKJSIODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-22-18(21)16-10-17(23-11-12-5-3-2-4-6-12)14-9-13(19)7-8-15(14)20-16/h2-10H,11H2,1H3.
What are the key properties of methyl 6-fluoro-4-phenylmethoxyquinoline-2-carboxylate?
methyl 6-fluoro-4-phenylmethoxyquinoline-2-carboxylate has a molecular weight of 311.31 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-4-phenylmethoxyquinoline-2-carboxylate is sourced from PubChem (CID 53113139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).