4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid

C14H16N2O4 — CID 63377476

IUPAC4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(NCCOCCO)c2ccccc2n1
InChIInChI=1S/C14H16N2O4/c17-6-8-20-7-5-15-12-9-13(14(18)19)16-11-4-2-1-3-10(11)12/h1-4,9,17H,5-8H2,(H,15,16)(H,18,19)
InChIKeyBJFTXNJKMMMTTM-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.35
Rot. Bonds7

About 4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid

4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid (PubChem CID 63377476) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid
PubChem CID63377476
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(NCCOCCO)c2ccccc2n1
InChIInChI=1S/C14H16N2O4/c17-6-8-20-7-5-15-12-9-13(14(18)19)16-11-4-2-1-3-10(11)12/h1-4,9,17H,5-8H2,(H,15,16)(H,18,19)
InChIKeyBJFTXNJKMMMTTM-UHFFFAOYSA-N
XLogP1.35
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid?
The IUPAC name of 4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid (CID 63377476) is 4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid?
The canonical SMILES for 4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid is O=C(O)c1cc(NCCOCCO)c2ccccc2n1.
What is the InChIKey of 4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid?
The InChIKey is BJFTXNJKMMMTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-6-8-20-7-5-15-12-9-13(14(18)19)16-11-4-2-1-3-10(11)12/h1-4,9,17H,5-8H2,(H,15,16)(H,18,19).
What are the key properties of 4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid?
4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid is sourced from PubChem (CID 63377476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).