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

C23H19FN2O2 — CID 89053698

IUPAC3-[(E)-2-(4-fluorophenyl)ethenyl]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc3c(c2)NCCC3)ccc1/C=C/c1ccc(F)cc1
InChIInChI=1S/C23H19FN2O2/c24-19-10-4-15(5-11-19)3-6-17-9-12-20(26-22(17)23(27)28)18-8-7-16-2-1-13-25-21(16)14-18/h3-12,14,25H,1-2,13H2,(H,27,28)/b6-3+
InChIKeyIOPSZXNRBHTQQQ-ZZXKWVIFSA-N
MW374.42 g/mol
LogP5.11
Rot. Bonds4

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

3-[(E)-2-(4-fluorophenyl)ethenyl]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid (PubChem CID 89053698) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-[(E)-2-(4-fluorophenyl)ethenyl]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(E)-2-(4-fluorophenyl)ethenyl]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid
PubChem CID89053698
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name3-[(E)-2-(4-fluorophenyl)ethenyl]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc3c(c2)NCCC3)ccc1/C=C/c1ccc(F)cc1
InChIInChI=1S/C23H19FN2O2/c24-19-10-4-15(5-11-19)3-6-17-9-12-20(26-22(17)23(27)28)18-8-7-16-2-1-13-25-21(16)14-18/h3-12,14,25H,1-2,13H2,(H,27,28)/b6-3+
InChIKeyIOPSZXNRBHTQQQ-ZZXKWVIFSA-N
XLogP5.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid (CID 89053698) is 3-[(E)-2-(4-fluorophenyl)ethenyl]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(E)-2-(4-fluorophenyl)ethenyl]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(E)-2-(4-fluorophenyl)ethenyl]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid is O=C(O)c1nc(-c2ccc3c(c2)NCCC3)ccc1/C=C/c1ccc(F)cc1.
What is the InChIKey of 3-[(E)-2-(4-fluorophenyl)ethenyl]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid?
The InChIKey is IOPSZXNRBHTQQQ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C23H19FN2O2/c24-19-10-4-15(5-11-19)3-6-17-9-12-20(26-22(17)23(27)28)18-8-7-16-2-1-13-25-21(16)14-18/h3-12,14,25H,1-2,13H2,(H,27,28)/b6-3+.
What are the key properties of 3-[(E)-2-(4-fluorophenyl)ethenyl]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid?
3-[(E)-2-(4-fluorophenyl)ethenyl]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid has a molecular weight of 374.42 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-fluorophenyl)ethenyl]-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 89053698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).