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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Related Compounds

6,8-Dichloro-4-Phenyl-2-(Piperidin-1-Yl)quinoline-3-Carboxylic Acid
CID 71556353
3-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 15987637
[3-Methyl-2-(4-methyl-piperazin-1-yl)-quinolin-4-yl]-phenyl-methanone
CID 11290923
3-Amino-8-chloro-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-3Hquinazolin-4-one
CID 23155758
N-(4-chlorophenyl)-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 11774199
3-Chloro-N-[4-methyl-2-(piperidin-1-YL)quinolin-6-YL]benzamide
CID 16033363
2-Chloro-6-(2-piperidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one
CID 118717814
2-Chloro-6-[2-(4-methylpiperazin-1-yl)ethylamino]indeno[2,1-c]quinolin-7-one
CID 118717817
7-chloro-2-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylamino]-3H-pyrimido[4,5-b]quinolin-4-one
CID 145951771
3-Acetyl-6-chloro-2-morpholin-4-yl-4-phenylquinoline
CID 1068792
1-[(3-Chlorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,4-dihydro-1,8-naphthyridin-4-one
CID 15988486
7-chloro-3-(piperidin-1-yl)pyrimido[4,5-b]quinolin-4(3H)-one
CID 60157897

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).