N-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide

C22H28ClN3O — CID 142972253

IUPACN-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1c(Cl)ccc2nc(N3CCCCC3)ccc12
InChIInChI=1S/C22H28ClN3O/c23-18-10-11-19-17(9-12-20(24-19)26-13-5-2-6-14-26)22(18)25-21(27)15-16-7-3-1-4-8-16/h9-12,16H,1-8,13-15H2,(H,25,27)
InChIKeyJXZCBUMMYPKPHS-UHFFFAOYSA-N
MW385.94 g/mol
LogP5.79
Rot. Bonds4

About N-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide

N-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide (PubChem CID 142972253) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is N-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide
PubChem CID142972253
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC NameN-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1c(Cl)ccc2nc(N3CCCCC3)ccc12
InChIInChI=1S/C22H28ClN3O/c23-18-10-11-19-17(9-12-20(24-19)26-13-5-2-6-14-26)22(18)25-21(27)15-16-7-3-1-4-8-16/h9-12,16H,1-8,13-15H2,(H,25,27)
InChIKeyJXZCBUMMYPKPHS-UHFFFAOYSA-N
XLogP5.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.94
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide
CID 11222925
N-[6-chloro-2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinolin-5-yl]-2-cyclohexylacetamide
CID 11167049
N-[2-[(3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]piperidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide
CID 68808571
N-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]quinolin-5-yl]-2-cyclohexylacetamide
CID 11750436
2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122318482
N-[2-(3-aminopropyl)-6-chloroquinolin-5-yl]-2-cyclohexylacetamide;2,2,2-trifluoroacetic acid
CID 142972259
6-chloro-2-pyrrolidin-1-ylquinoline-5-carboxylic acid
CID 118556113
2-(4-chloroanilino)-N-[6-chloro-2-(3-hydroxypyrrolidin-1-yl)quinolin-5-yl]acetamide
CID 74382249
ethyl 1-[5-[[2-(1-adamantyl)acetyl]amino]-6-chloroquinolin-2-yl]piperidine-4-carboxylate
CID 86621833
ethyl 1-[6-chloro-5-(cyclohexylmethylcarbamoyl)quinolin-2-yl]piperidine-4-carboxylate
CID 68809358
N-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-(4-fluoroanilino)acetamide
CID 24995088
6-chloro-N-[(3-methylcyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide;N-methylmethanamine
CID 144973424

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide?
The IUPAC name of N-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide (CID 142972253) is N-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide?
The canonical SMILES for N-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide is O=C(CC1CCCCC1)Nc1c(Cl)ccc2nc(N3CCCCC3)ccc12.
What is the InChIKey of N-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide?
The InChIKey is JXZCBUMMYPKPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c23-18-10-11-19-17(9-12-20(24-19)26-13-5-2-6-14-26)22(18)25-21(27)15-16-7-3-1-4-8-16/h9-12,16H,1-8,13-15H2,(H,25,27).
What are the key properties of N-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide?
N-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide has a molecular weight of 385.94 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide is sourced from PubChem (CID 142972253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).