3-[2-(4-fluorophenyl)ethoxy]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid

C23H21FN2O3 — CID 70875762

IUPAC3-[2-(4-fluorophenyl)ethoxy]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc3c(c2)NCCC3)ccc1OCCc1ccc(F)cc1
InChIInChI=1S/C23H21FN2O3/c24-18-7-3-15(4-8-18)11-13-29-21-10-9-19(26-22(21)23(27)28)17-6-5-16-2-1-12-25-20(16)14-17/h3-10,14,25H,1-2,11-13H2,(H,27,28)
InChIKeyIIIBEXPSOLRWKJ-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.57
Rot. Bonds6

About 3-[2-(4-fluorophenyl)ethoxy]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid

3-[2-(4-fluorophenyl)ethoxy]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid (PubChem CID 70875762) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethoxy]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethoxy]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid
PubChem CID70875762
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name3-[2-(4-fluorophenyl)ethoxy]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc3c(c2)NCCC3)ccc1OCCc1ccc(F)cc1
InChIInChI=1S/C23H21FN2O3/c24-18-7-3-15(4-8-18)11-13-29-21-10-9-19(26-22(21)23(27)28)17-6-5-16-2-1-12-25-20(16)14-17/h3-10,14,25H,1-2,11-13H2,(H,27,28)
InChIKeyIIIBEXPSOLRWKJ-UHFFFAOYSA-N
XLogP4.57
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethoxy]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-[2-(4-fluorophenyl)ethoxy]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid (CID 70875762) is 3-[2-(4-fluorophenyl)ethoxy]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethoxy]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethoxy]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid is O=C(O)c1nc(-c2ccc3c(c2)NCCC3)ccc1OCCc1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethoxy]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid?
The InChIKey is IIIBEXPSOLRWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c24-18-7-3-15(4-8-18)11-13-29-21-10-9-19(26-22(21)23(27)28)17-6-5-16-2-1-12-25-20(16)14-17/h3-10,14,25H,1-2,11-13H2,(H,27,28).
What are the key properties of 3-[2-(4-fluorophenyl)ethoxy]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid?
3-[2-(4-fluorophenyl)ethoxy]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid has a molecular weight of 392.43 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethoxy]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 70875762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).