4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzoic acid

C18H16N2O3 — CID 68762823

IUPAC4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzoic acid
SMILESCC(N)c1ccc2nc(Oc3ccc(C(=O)O)cc3)ccc2c1
InChIInChI=1S/C18H16N2O3/c1-11(19)13-4-8-16-14(10-13)5-9-17(20-16)23-15-6-2-12(3-7-15)18(21)22/h2-11H,19H2,1H3,(H,21,22)
InChIKeyYFDUOKFZIKTGHA-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.74
Rot. Bonds4

About 4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzoic acid

4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzoic acid (PubChem CID 68762823) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzoic acid.

Molecular Properties

Compound Name4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzoic acid
PubChem CID68762823
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzoic acid
SMILESCC(N)c1ccc2nc(Oc3ccc(C(=O)O)cc3)ccc2c1
InChIInChI=1S/C18H16N2O3/c1-11(19)13-4-8-16-14(10-13)5-9-17(20-16)23-15-6-2-12(3-7-15)18(21)22/h2-11H,19H2,1H3,(H,21,22)
InChIKeyYFDUOKFZIKTGHA-UHFFFAOYSA-N
XLogP3.74
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzoic acid?
The IUPAC name of 4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzoic acid (CID 68762823) is 4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzoic acid.
What is the SMILES notation for 4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzoic acid?
The canonical SMILES for 4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzoic acid is CC(N)c1ccc2nc(Oc3ccc(C(=O)O)cc3)ccc2c1.
What is the InChIKey of 4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzoic acid?
The InChIKey is YFDUOKFZIKTGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11(19)13-4-8-16-14(10-13)5-9-17(20-16)23-15-6-2-12(3-7-15)18(21)22/h2-11H,19H2,1H3,(H,21,22).
What are the key properties of 4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzoic acid?
4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzoic acid has a molecular weight of 308.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzoic acid is sourced from PubChem (CID 68762823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).