3-(2-phenoxyethoxy)-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid

C23H22N2O4 — CID 70875763

IUPAC3-(2-phenoxyethoxy)-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc3c(c2)NCCC3)ccc1OCCOc1ccccc1
InChIInChI=1S/C23H22N2O4/c26-23(27)22-21(29-14-13-28-18-6-2-1-3-7-18)11-10-19(25-22)17-9-8-16-5-4-12-24-20(16)15-17/h1-3,6-11,15,24H,4-5,12-14H2,(H,26,27)
InChIKeySLZORAYIRIZESI-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.26
Rot. Bonds7

About 3-(2-phenoxyethoxy)-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid

3-(2-phenoxyethoxy)-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid (PubChem CID 70875763) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-(2-phenoxyethoxy)-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-phenoxyethoxy)-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid
PubChem CID70875763
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name3-(2-phenoxyethoxy)-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc3c(c2)NCCC3)ccc1OCCOc1ccccc1
InChIInChI=1S/C23H22N2O4/c26-23(27)22-21(29-14-13-28-18-6-2-1-3-7-18)11-10-19(25-22)17-9-8-16-5-4-12-24-20(16)15-17/h1-3,6-11,15,24H,4-5,12-14H2,(H,26,27)
InChIKeySLZORAYIRIZESI-UHFFFAOYSA-N
XLogP4.26
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.26
H-Bond Donors ≤ 52
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 3-(2-phenoxyethoxy)-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(2-phenoxyethoxy)-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid (CID 70875763) is 3-(2-phenoxyethoxy)-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2-phenoxyethoxy)-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2-phenoxyethoxy)-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid is O=C(O)c1nc(-c2ccc3c(c2)NCCC3)ccc1OCCOc1ccccc1.
What is the InChIKey of 3-(2-phenoxyethoxy)-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid?
The InChIKey is SLZORAYIRIZESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c26-23(27)22-21(29-14-13-28-18-6-2-1-3-7-18)11-10-19(25-22)17-9-8-16-5-4-12-24-20(16)15-17/h1-3,6-11,15,24H,4-5,12-14H2,(H,26,27).
What are the key properties of 3-(2-phenoxyethoxy)-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid?
3-(2-phenoxyethoxy)-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid has a molecular weight of 390.44 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethoxy)-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 70875763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).