5-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-hydroxybenzoic acid

C23H23FN2O4 — CID 25144595

IUPAC5-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-hydroxybenzoic acid
SMILESCc1cc(OC2CCN(Cc3ccc(O)c(C(=O)O)c3)CC2)c2cccc(F)c2n1
InChIInChI=1S/C23H23FN2O4/c1-14-11-21(17-3-2-4-19(24)22(17)25-14)30-16-7-9-26(10-8-16)13-15-5-6-20(27)18(12-15)23(28)29/h2-6,11-12,16,27H,7-10,13H2,1H3,(H,28,29)
InChIKeyOGMYECPCJPVWGZ-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.13
Rot. Bonds5

About 5-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-hydroxybenzoic acid

5-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-hydroxybenzoic acid (PubChem CID 25144595) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is 5-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-hydroxybenzoic acid
PubChem CID25144595
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name5-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-hydroxybenzoic acid
SMILESCc1cc(OC2CCN(Cc3ccc(O)c(C(=O)O)c3)CC2)c2cccc(F)c2n1
InChIInChI=1S/C23H23FN2O4/c1-14-11-21(17-3-2-4-19(24)22(17)25-14)30-16-7-9-26(10-8-16)13-15-5-6-20(27)18(12-15)23(28)29/h2-6,11-12,16,27H,7-10,13H2,1H3,(H,28,29)
InChIKeyOGMYECPCJPVWGZ-UHFFFAOYSA-N
XLogP4.13
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-hydroxybenzoic acid (CID 25144595) is 5-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-hydroxybenzoic acid is Cc1cc(OC2CCN(Cc3ccc(O)c(C(=O)O)c3)CC2)c2cccc(F)c2n1.
What is the InChIKey of 5-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-hydroxybenzoic acid?
The InChIKey is OGMYECPCJPVWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-14-11-21(17-3-2-4-19(24)22(17)25-14)30-16-7-9-26(10-8-16)13-15-5-6-20(27)18(12-15)23(28)29/h2-6,11-12,16,27H,7-10,13H2,1H3,(H,28,29).
What are the key properties of 5-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-hydroxybenzoic acid?
5-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-hydroxybenzoic acid has a molecular weight of 410.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 25144595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).