3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]pyridine-2-carboxylic acid

C22H22FN3O3 — CID 25145573

IUPAC3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]pyridine-2-carboxylic acid
SMILESCc1cc(OC2CCN(Cc3cccnc3C(=O)O)CC2)c2cccc(F)c2n1
InChIInChI=1S/C22H22FN3O3/c1-14-12-19(17-5-2-6-18(23)21(17)25-14)29-16-7-10-26(11-8-16)13-15-4-3-9-24-20(15)22(27)28/h2-6,9,12,16H,7-8,10-11,13H2,1H3,(H,27,28)
InChIKeyLDLZMAQVNUFBCA-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.82
Rot. Bonds5

About 3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]pyridine-2-carboxylic acid

3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 25145573) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]pyridine-2-carboxylic acid
PubChem CID25145573
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]pyridine-2-carboxylic acid
SMILESCc1cc(OC2CCN(Cc3cccnc3C(=O)O)CC2)c2cccc(F)c2n1
InChIInChI=1S/C22H22FN3O3/c1-14-12-19(17-5-2-6-18(23)21(17)25-14)29-16-7-10-26(11-8-16)13-15-4-3-9-24-20(15)22(27)28/h2-6,9,12,16H,7-8,10-11,13H2,1H3,(H,27,28)
InChIKeyLDLZMAQVNUFBCA-UHFFFAOYSA-N
XLogP3.82
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]pyridine-2-carboxylic acid (CID 25145573) is 3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]pyridine-2-carboxylic acid is Cc1cc(OC2CCN(Cc3cccnc3C(=O)O)CC2)c2cccc(F)c2n1.
What is the InChIKey of 3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is LDLZMAQVNUFBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-14-12-19(17-5-2-6-18(23)21(17)25-14)29-16-7-10-26(11-8-16)13-15-4-3-9-24-20(15)22(27)28/h2-6,9,12,16H,7-8,10-11,13H2,1H3,(H,27,28).
What are the key properties of 3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]pyridine-2-carboxylic acid?
3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 395.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 25145573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).