(8-chloro-2-methylquinolin-4-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone

C22H22ClN3O2 — CID 46964935

IUPAC(8-chloro-2-methylquinolin-4-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(COc3ccccn3)CC2)c2cccc(Cl)c2n1
InChIInChI=1S/C22H22ClN3O2/c1-15-13-18(17-5-4-6-19(23)21(17)25-15)22(27)26-11-8-16(9-12-26)14-28-20-7-2-3-10-24-20/h2-7,10,13,16H,8-9,11-12,14H2,1H3
InChIKeyPSWJCIJMEAHQIC-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.52
Rot. Bonds4

About (8-chloro-2-methylquinolin-4-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone

(8-chloro-2-methylquinolin-4-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone (PubChem CID 46964935) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is (8-chloro-2-methylquinolin-4-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(8-chloro-2-methylquinolin-4-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone
PubChem CID46964935
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name(8-chloro-2-methylquinolin-4-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(COc3ccccn3)CC2)c2cccc(Cl)c2n1
InChIInChI=1S/C22H22ClN3O2/c1-15-13-18(17-5-4-6-19(23)21(17)25-15)22(27)26-11-8-16(9-12-26)14-28-20-7-2-3-10-24-20/h2-7,10,13,16H,8-9,11-12,14H2,1H3
InChIKeyPSWJCIJMEAHQIC-UHFFFAOYSA-N
XLogP4.52
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-chloro-2-methylquinolin-4-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (8-chloro-2-methylquinolin-4-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone (CID 46964935) is (8-chloro-2-methylquinolin-4-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (8-chloro-2-methylquinolin-4-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (8-chloro-2-methylquinolin-4-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(COc3ccccn3)CC2)c2cccc(Cl)c2n1.
What is the InChIKey of (8-chloro-2-methylquinolin-4-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone?
The InChIKey is PSWJCIJMEAHQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-15-13-18(17-5-4-6-19(23)21(17)25-15)22(27)26-11-8-16(9-12-26)14-28-20-7-2-3-10-24-20/h2-7,10,13,16H,8-9,11-12,14H2,1H3.
What are the key properties of (8-chloro-2-methylquinolin-4-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone?
(8-chloro-2-methylquinolin-4-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone has a molecular weight of 395.89 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-2-methylquinolin-4-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 46964935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).