methyl 4-[(3-fluorophenyl)methoxy]quinoline-2-carboxylate

C18H14FNO3 — CID 53112964

IUPACmethyl 4-[(3-fluorophenyl)methoxy]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCc2cccc(F)c2)c2ccccc2n1
InChIInChI=1S/C18H14FNO3/c1-22-18(21)16-10-17(14-7-2-3-8-15(14)20-16)23-11-12-5-4-6-13(19)9-12/h2-10H,11H2,1H3
InChIKeyBMAACMJAEGBYGP-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.74
Rot. Bonds4

About methyl 4-[(3-fluorophenyl)methoxy]quinoline-2-carboxylate

methyl 4-[(3-fluorophenyl)methoxy]quinoline-2-carboxylate (PubChem CID 53112964) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is methyl 4-[(3-fluorophenyl)methoxy]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-fluorophenyl)methoxy]quinoline-2-carboxylate
PubChem CID53112964
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Namemethyl 4-[(3-fluorophenyl)methoxy]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCc2cccc(F)c2)c2ccccc2n1
InChIInChI=1S/C18H14FNO3/c1-22-18(21)16-10-17(14-7-2-3-8-15(14)20-16)23-11-12-5-4-6-13(19)9-12/h2-10H,11H2,1H3
InChIKeyBMAACMJAEGBYGP-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 4-[(3-fluorophenyl)methoxy]quinoline-2-carboxylate?
The IUPAC name of methyl 4-[(3-fluorophenyl)methoxy]quinoline-2-carboxylate (CID 53112964) is methyl 4-[(3-fluorophenyl)methoxy]quinoline-2-carboxylate.
What is the SMILES notation for methyl 4-[(3-fluorophenyl)methoxy]quinoline-2-carboxylate?
The canonical SMILES for methyl 4-[(3-fluorophenyl)methoxy]quinoline-2-carboxylate is COC(=O)c1cc(OCc2cccc(F)c2)c2ccccc2n1.
What is the InChIKey of methyl 4-[(3-fluorophenyl)methoxy]quinoline-2-carboxylate?
The InChIKey is BMAACMJAEGBYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-22-18(21)16-10-17(14-7-2-3-8-15(14)20-16)23-11-12-5-4-6-13(19)9-12/h2-10H,11H2,1H3.
What are the key properties of methyl 4-[(3-fluorophenyl)methoxy]quinoline-2-carboxylate?
methyl 4-[(3-fluorophenyl)methoxy]quinoline-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 4-[(3-fluorophenyl)methoxy]quinoline-2-carboxylate is sourced from PubChem (CID 53112964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).