methyl 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylate

C14H14FNO3 — CID 67124372

IUPACmethyl 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylate
SMILESCCc1nc2ccc(F)cc2c(C(=O)OC)c1OC
InChIInChI=1S/C14H14FNO3/c1-4-10-13(18-2)12(14(17)19-3)9-7-8(15)5-6-11(9)16-10/h5-7H,4H2,1-3H3
InChIKeyLINUSAYYTXJWAC-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.73
Rot. Bonds3

About methyl 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylate

methyl 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylate (PubChem CID 67124372) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is methyl 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylate
PubChem CID67124372
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Namemethyl 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylate
SMILESCCc1nc2ccc(F)cc2c(C(=O)OC)c1OC
InChIInChI=1S/C14H14FNO3/c1-4-10-13(18-2)12(14(17)19-3)9-7-8(15)5-6-11(9)16-10/h5-7H,4H2,1-3H3
InChIKeyLINUSAYYTXJWAC-UHFFFAOYSA-N
XLogP2.73
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylate?
The IUPAC name of methyl 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylate (CID 67124372) is methyl 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylate.
What is the SMILES notation for methyl 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylate?
The canonical SMILES for methyl 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylate is CCc1nc2ccc(F)cc2c(C(=O)OC)c1OC.
What is the InChIKey of methyl 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylate?
The InChIKey is LINUSAYYTXJWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-4-10-13(18-2)12(14(17)19-3)9-7-8(15)5-6-11(9)16-10/h5-7H,4H2,1-3H3.
What are the key properties of methyl 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylate?
methyl 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylate has a molecular weight of 263.27 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-6-fluoro-3-methoxyquinoline-4-carboxylate is sourced from PubChem (CID 67124372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).