2-[[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-methylamino]acetic acid

C14H15FN2O3 — CID 122052198

IUPAC2-[[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-methylamino]acetic acid
SMILESCOCc1cc(N(C)CC(=O)O)c2cc(F)ccc2n1
InChIInChI=1S/C14H15FN2O3/c1-17(7-14(18)19)13-6-10(8-20-2)16-12-4-3-9(15)5-11(12)13/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyGEQIDECDHBBPJD-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.04
Rot. Bonds5

About 2-[[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-methylamino]acetic acid

2-[[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-methylamino]acetic acid (PubChem CID 122052198) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-[[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-methylamino]acetic acid
PubChem CID122052198
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name2-[[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-methylamino]acetic acid
SMILESCOCc1cc(N(C)CC(=O)O)c2cc(F)ccc2n1
InChIInChI=1S/C14H15FN2O3/c1-17(7-14(18)19)13-6-10(8-20-2)16-12-4-3-9(15)5-11(12)13/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyGEQIDECDHBBPJD-UHFFFAOYSA-N
XLogP2.04
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-methylamino]acetic acid (CID 122052198) is 2-[[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-methylamino]acetic acid is COCc1cc(N(C)CC(=O)O)c2cc(F)ccc2n1.
What is the InChIKey of 2-[[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-methylamino]acetic acid?
The InChIKey is GEQIDECDHBBPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-17(7-14(18)19)13-6-10(8-20-2)16-12-4-3-9(15)5-11(12)13/h3-6H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-methylamino]acetic acid?
2-[[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-methylamino]acetic acid has a molecular weight of 278.28 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-methylamino]acetic acid is sourced from PubChem (CID 122052198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).