methyl 2-(1-aminoethyl)-6-fluoro-3-methoxyquinoline-4-carboxylate

C14H15FN2O3 — CID 67124186

IUPACmethyl 2-(1-aminoethyl)-6-fluoro-3-methoxyquinoline-4-carboxylate
SMILESCOC(=O)c1c(OC)c(C(C)N)nc2ccc(F)cc12
InChIInChI=1S/C14H15FN2O3/c1-7(16)12-13(19-2)11(14(18)20-3)9-6-8(15)4-5-10(9)17-12/h4-7H,16H2,1-3H3
InChIKeyIJTAWEHODSPJIB-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.19
Rot. Bonds3

About methyl 2-(1-aminoethyl)-6-fluoro-3-methoxyquinoline-4-carboxylate

methyl 2-(1-aminoethyl)-6-fluoro-3-methoxyquinoline-4-carboxylate (PubChem CID 67124186) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is methyl 2-(1-aminoethyl)-6-fluoro-3-methoxyquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-aminoethyl)-6-fluoro-3-methoxyquinoline-4-carboxylate
PubChem CID67124186
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Namemethyl 2-(1-aminoethyl)-6-fluoro-3-methoxyquinoline-4-carboxylate
SMILESCOC(=O)c1c(OC)c(C(C)N)nc2ccc(F)cc12
InChIInChI=1S/C14H15FN2O3/c1-7(16)12-13(19-2)11(14(18)20-3)9-6-8(15)4-5-10(9)17-12/h4-7H,16H2,1-3H3
InChIKeyIJTAWEHODSPJIB-UHFFFAOYSA-N
XLogP2.19
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-aminoethyl)-6-fluoro-3-methoxyquinoline-4-carboxylate?
The IUPAC name of methyl 2-(1-aminoethyl)-6-fluoro-3-methoxyquinoline-4-carboxylate (CID 67124186) is methyl 2-(1-aminoethyl)-6-fluoro-3-methoxyquinoline-4-carboxylate.
What is the SMILES notation for methyl 2-(1-aminoethyl)-6-fluoro-3-methoxyquinoline-4-carboxylate?
The canonical SMILES for methyl 2-(1-aminoethyl)-6-fluoro-3-methoxyquinoline-4-carboxylate is COC(=O)c1c(OC)c(C(C)N)nc2ccc(F)cc12.
What is the InChIKey of methyl 2-(1-aminoethyl)-6-fluoro-3-methoxyquinoline-4-carboxylate?
The InChIKey is IJTAWEHODSPJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-7(16)12-13(19-2)11(14(18)20-3)9-6-8(15)4-5-10(9)17-12/h4-7H,16H2,1-3H3.
What are the key properties of methyl 2-(1-aminoethyl)-6-fluoro-3-methoxyquinoline-4-carboxylate?
methyl 2-(1-aminoethyl)-6-fluoro-3-methoxyquinoline-4-carboxylate has a molecular weight of 278.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-aminoethyl)-6-fluoro-3-methoxyquinoline-4-carboxylate is sourced from PubChem (CID 67124186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).