3-amino-4-quinolin-6-yloxybutanoic acid

C13H14N2O3 — CID 82130669

IUPAC3-amino-4-quinolin-6-yloxybutanoic acid
SMILESNC(COc1ccc2ncccc2c1)CC(=O)O
InChIInChI=1S/C13H14N2O3/c14-10(7-13(16)17)8-18-11-3-4-12-9(6-11)2-1-5-15-12/h1-6,10H,7-8,14H2,(H,16,17)
InChIKeyRGTPYBGBQSLLHH-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.42
Rot. Bonds5

About 3-amino-4-quinolin-6-yloxybutanoic acid

3-amino-4-quinolin-6-yloxybutanoic acid (PubChem CID 82130669) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-amino-4-quinolin-6-yloxybutanoic acid.

Molecular Properties

Compound Name3-amino-4-quinolin-6-yloxybutanoic acid
PubChem CID82130669
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-amino-4-quinolin-6-yloxybutanoic acid
SMILESNC(COc1ccc2ncccc2c1)CC(=O)O
InChIInChI=1S/C13H14N2O3/c14-10(7-13(16)17)8-18-11-3-4-12-9(6-11)2-1-5-15-12/h1-6,10H,7-8,14H2,(H,16,17)
InChIKeyRGTPYBGBQSLLHH-UHFFFAOYSA-N
XLogP1.42
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-quinolin-6-yloxypropan-2-amine
CID 86262441
2-amino-5-quinolin-6-yloxypentanoic acid
CID 112519211
3-amino-4-[3-(dimethylamino)phenoxy]butanoic acid
CID 112511325
2-methyl-N-(2-quinolin-6-yloxyethyl)propanamide
CID 113102128
N-butan-2-yl-2-quinolin-6-yloxyacetamide
CID 47453985
1-[(2R)-2-hydroxy-3-quinolin-6-yloxypropyl]piperidine-4-carboxylic acid
CID 68574034
4-amino-4-quinolin-6-ylbutanoic acid
CID 84693454
N-methyl-N-phenyl-2-quinolin-6-yloxyacetamide
CID 112978659
6-prop-2-enoxyquinoline
CID 21107330
2-phenoxy-1-quinolin-6-ylethanol
CID 81220739
N-(2-aminoethyl)-2-quinolin-6-yloxypropanamide
CID 75357317
quinolin-6-yl 2-(diaminomethylideneamino)acetate
CID 174221629

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-quinolin-6-yloxybutanoic acid?
The IUPAC name of 3-amino-4-quinolin-6-yloxybutanoic acid (CID 82130669) is 3-amino-4-quinolin-6-yloxybutanoic acid.
What is the SMILES notation for 3-amino-4-quinolin-6-yloxybutanoic acid?
The canonical SMILES for 3-amino-4-quinolin-6-yloxybutanoic acid is NC(COc1ccc2ncccc2c1)CC(=O)O.
What is the InChIKey of 3-amino-4-quinolin-6-yloxybutanoic acid?
The InChIKey is RGTPYBGBQSLLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c14-10(7-13(16)17)8-18-11-3-4-12-9(6-11)2-1-5-15-12/h1-6,10H,7-8,14H2,(H,16,17).
What are the key properties of 3-amino-4-quinolin-6-yloxybutanoic acid?
3-amino-4-quinolin-6-yloxybutanoic acid has a molecular weight of 246.27 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-quinolin-6-yloxybutanoic acid is sourced from PubChem (CID 82130669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).