2-[3-(2-hydroxyethoxy)propylamino]quinoline-3-carboxylic acid

C15H18N2O4 — CID 106307515

IUPAC2-[3-(2-hydroxyethoxy)propylamino]quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2nc1NCCCOCCO
InChIInChI=1S/C15H18N2O4/c18-7-9-21-8-3-6-16-14-12(15(19)20)10-11-4-1-2-5-13(11)17-14/h1-2,4-5,10,18H,3,6-9H2,(H,16,17)(H,19,20)
InChIKeyOQXRNEACALJTHF-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.74
Rot. Bonds8

About 2-[3-(2-hydroxyethoxy)propylamino]quinoline-3-carboxylic acid

2-[3-(2-hydroxyethoxy)propylamino]quinoline-3-carboxylic acid (PubChem CID 106307515) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethoxy)propylamino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-hydroxyethoxy)propylamino]quinoline-3-carboxylic acid
PubChem CID106307515
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[3-(2-hydroxyethoxy)propylamino]quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2nc1NCCCOCCO
InChIInChI=1S/C15H18N2O4/c18-7-9-21-8-3-6-16-14-12(15(19)20)10-11-4-1-2-5-13(11)17-14/h1-2,4-5,10,18H,3,6-9H2,(H,16,17)(H,19,20)
InChIKeyOQXRNEACALJTHF-UHFFFAOYSA-N
XLogP1.74
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.74
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 2-[3-(2-hydroxyethoxy)propylamino]quinoline-3-carboxylic acid?
The IUPAC name of 2-[3-(2-hydroxyethoxy)propylamino]quinoline-3-carboxylic acid (CID 106307515) is 2-[3-(2-hydroxyethoxy)propylamino]quinoline-3-carboxylic acid.
What is the SMILES notation for 2-[3-(2-hydroxyethoxy)propylamino]quinoline-3-carboxylic acid?
The canonical SMILES for 2-[3-(2-hydroxyethoxy)propylamino]quinoline-3-carboxylic acid is O=C(O)c1cc2ccccc2nc1NCCCOCCO.
What is the InChIKey of 2-[3-(2-hydroxyethoxy)propylamino]quinoline-3-carboxylic acid?
The InChIKey is OQXRNEACALJTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-7-9-21-8-3-6-16-14-12(15(19)20)10-11-4-1-2-5-13(11)17-14/h1-2,4-5,10,18H,3,6-9H2,(H,16,17)(H,19,20).
What are the key properties of 2-[3-(2-hydroxyethoxy)propylamino]quinoline-3-carboxylic acid?
2-[3-(2-hydroxyethoxy)propylamino]quinoline-3-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethoxy)propylamino]quinoline-3-carboxylic acid is sourced from PubChem (CID 106307515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).