methyl 2-[(6-fluoroquinolin-8-yl)methyl-methylamino]acetate

C14H15FN2O2 — CID 60970098

IUPACmethyl 2-[(6-fluoroquinolin-8-yl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1cc(F)cc2cccnc12
InChIInChI=1S/C14H15FN2O2/c1-17(9-13(18)19-2)8-11-7-12(15)6-10-4-3-5-16-14(10)11/h3-7H,8-9H2,1-2H3
InChIKeyHVLPLJYJTHMMGK-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.98
Rot. Bonds4

About methyl 2-[(6-fluoroquinolin-8-yl)methyl-methylamino]acetate

methyl 2-[(6-fluoroquinolin-8-yl)methyl-methylamino]acetate (PubChem CID 60970098) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is methyl 2-[(6-fluoroquinolin-8-yl)methyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-fluoroquinolin-8-yl)methyl-methylamino]acetate
PubChem CID60970098
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Namemethyl 2-[(6-fluoroquinolin-8-yl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1cc(F)cc2cccnc12
InChIInChI=1S/C14H15FN2O2/c1-17(9-13(18)19-2)8-11-7-12(15)6-10-4-3-5-16-14(10)11/h3-7H,8-9H2,1-2H3
InChIKeyHVLPLJYJTHMMGK-UHFFFAOYSA-N
XLogP1.98
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-fluoroquinolin-8-yl)methyl-methylamino]acetate?
The IUPAC name of methyl 2-[(6-fluoroquinolin-8-yl)methyl-methylamino]acetate (CID 60970098) is methyl 2-[(6-fluoroquinolin-8-yl)methyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(6-fluoroquinolin-8-yl)methyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(6-fluoroquinolin-8-yl)methyl-methylamino]acetate is COC(=O)CN(C)Cc1cc(F)cc2cccnc12.
What is the InChIKey of methyl 2-[(6-fluoroquinolin-8-yl)methyl-methylamino]acetate?
The InChIKey is HVLPLJYJTHMMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-17(9-13(18)19-2)8-11-7-12(15)6-10-4-3-5-16-14(10)11/h3-7H,8-9H2,1-2H3.
What are the key properties of methyl 2-[(6-fluoroquinolin-8-yl)methyl-methylamino]acetate?
methyl 2-[(6-fluoroquinolin-8-yl)methyl-methylamino]acetate has a molecular weight of 262.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-fluoroquinolin-8-yl)methyl-methylamino]acetate is sourced from PubChem (CID 60970098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).