2-[4-(aminomethyl)-7-fluoro-2,3-dihydro-1H-quinolin-4-yl]acetic acid

C12H15FN2O2 — CID 83912344

IUPAC2-[4-(aminomethyl)-7-fluoro-2,3-dihydro-1H-quinolin-4-yl]acetic acid
SMILESNCC1(CC(=O)O)CCNc2cc(F)ccc21
InChIInChI=1S/C12H15FN2O2/c13-8-1-2-9-10(5-8)15-4-3-12(9,7-14)6-11(16)17/h1-2,5,15H,3-4,6-7,14H2,(H,16,17)
InChIKeyZLUBOMQQBDBMPI-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.31
Rot. Bonds3

About 2-[4-(aminomethyl)-7-fluoro-2,3-dihydro-1H-quinolin-4-yl]acetic acid

2-[4-(aminomethyl)-7-fluoro-2,3-dihydro-1H-quinolin-4-yl]acetic acid (PubChem CID 83912344) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-7-fluoro-2,3-dihydro-1H-quinolin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(aminomethyl)-7-fluoro-2,3-dihydro-1H-quinolin-4-yl]acetic acid
PubChem CID83912344
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name2-[4-(aminomethyl)-7-fluoro-2,3-dihydro-1H-quinolin-4-yl]acetic acid
SMILESNCC1(CC(=O)O)CCNc2cc(F)ccc21
InChIInChI=1S/C12H15FN2O2/c13-8-1-2-9-10(5-8)15-4-3-12(9,7-14)6-11(16)17/h1-2,5,15H,3-4,6-7,14H2,(H,16,17)
InChIKeyZLUBOMQQBDBMPI-UHFFFAOYSA-N
XLogP1.31
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-7-fluoro-2,3-dihydro-1H-quinolin-4-yl]acetic acid?
The IUPAC name of 2-[4-(aminomethyl)-7-fluoro-2,3-dihydro-1H-quinolin-4-yl]acetic acid (CID 83912344) is 2-[4-(aminomethyl)-7-fluoro-2,3-dihydro-1H-quinolin-4-yl]acetic acid.
What is the SMILES notation for 2-[4-(aminomethyl)-7-fluoro-2,3-dihydro-1H-quinolin-4-yl]acetic acid?
The canonical SMILES for 2-[4-(aminomethyl)-7-fluoro-2,3-dihydro-1H-quinolin-4-yl]acetic acid is NCC1(CC(=O)O)CCNc2cc(F)ccc21.
What is the InChIKey of 2-[4-(aminomethyl)-7-fluoro-2,3-dihydro-1H-quinolin-4-yl]acetic acid?
The InChIKey is ZLUBOMQQBDBMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-8-1-2-9-10(5-8)15-4-3-12(9,7-14)6-11(16)17/h1-2,5,15H,3-4,6-7,14H2,(H,16,17).
What are the key properties of 2-[4-(aminomethyl)-7-fluoro-2,3-dihydro-1H-quinolin-4-yl]acetic acid?
2-[4-(aminomethyl)-7-fluoro-2,3-dihydro-1H-quinolin-4-yl]acetic acid has a molecular weight of 238.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-7-fluoro-2,3-dihydro-1H-quinolin-4-yl]acetic acid is sourced from PubChem (CID 83912344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).