1-(8-chloro-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanone

C22H21ClN2O — CID 67548035

IUPAC1-(8-chloro-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanone
SMILESCC(=O)c1c(N2CCCCC2)nc2c(Cl)cccc2c1-c1ccccc1
InChIInChI=1S/C22H21ClN2O/c1-15(26)19-20(16-9-4-2-5-10-16)17-11-8-12-18(23)21(17)24-22(19)25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-14H2,1H3
InChIKeyOOLFUBVDKUSHSP-UHFFFAOYSA-N
MW364.88 g/mol
LogP5.75
Rot. Bonds3

About 1-(8-chloro-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanone

1-(8-chloro-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanone (PubChem CID 67548035) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is 1-(8-chloro-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-(8-chloro-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanone
PubChem CID67548035
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name1-(8-chloro-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanone
SMILESCC(=O)c1c(N2CCCCC2)nc2c(Cl)cccc2c1-c1ccccc1
InChIInChI=1S/C22H21ClN2O/c1-15(26)19-20(16-9-4-2-5-10-16)17-11-8-12-18(23)21(17)24-22(19)25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-14H2,1H3
InChIKeyOOLFUBVDKUSHSP-UHFFFAOYSA-N
XLogP5.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.88
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanone?
The IUPAC name of 1-(8-chloro-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanone (CID 67548035) is 1-(8-chloro-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanone.
What is the SMILES notation for 1-(8-chloro-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanone?
The canonical SMILES for 1-(8-chloro-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanone is CC(=O)c1c(N2CCCCC2)nc2c(Cl)cccc2c1-c1ccccc1.
What is the InChIKey of 1-(8-chloro-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanone?
The InChIKey is OOLFUBVDKUSHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c1-15(26)19-20(16-9-4-2-5-10-16)17-11-8-12-18(23)21(17)24-22(19)25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-14H2,1H3.
What are the key properties of 1-(8-chloro-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanone?
1-(8-chloro-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanone has a molecular weight of 364.88 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanone is sourced from PubChem (CID 67548035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).