(8-chloroquinolin-2-yl)-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C20H21ClN4O — CID 56757447

IUPAC(8-chloroquinolin-2-yl)-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1cn[nH]c1C1CCCN(C(=O)c2ccc3cccc(Cl)c3n2)C1
InChIInChI=1S/C20H21ClN4O/c1-2-13-11-22-24-18(13)15-6-4-10-25(12-15)20(26)17-9-8-14-5-3-7-16(21)19(14)23-17/h3,5,7-9,11,15H,2,4,6,10,12H2,1H3,(H,22,24)
InChIKeyRPUZVFJUFDMYIM-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.19
Rot. Bonds3

About (8-chloroquinolin-2-yl)-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(8-chloroquinolin-2-yl)-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 56757447) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is (8-chloroquinolin-2-yl)-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(8-chloroquinolin-2-yl)-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID56757447
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name(8-chloroquinolin-2-yl)-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1cn[nH]c1C1CCCN(C(=O)c2ccc3cccc(Cl)c3n2)C1
InChIInChI=1S/C20H21ClN4O/c1-2-13-11-22-24-18(13)15-6-4-10-25(12-15)20(26)17-9-8-14-5-3-7-16(21)19(14)23-17/h3,5,7-9,11,15H,2,4,6,10,12H2,1H3,(H,22,24)
InChIKeyRPUZVFJUFDMYIM-UHFFFAOYSA-N
XLogP4.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95225246
[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 95221550
1-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione
CID 95214259
1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 126466575
[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 95212418
3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 95228413
(8-chloroquinolin-2-yl)-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 164630959
(8-chloroquinolin-2-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 50963476
[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 127247164
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56755087
(8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 110487263
4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 56758097

Frequently Asked Questions

What is the IUPAC name of (8-chloroquinolin-2-yl)-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (8-chloroquinolin-2-yl)-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 56757447) is (8-chloroquinolin-2-yl)-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (8-chloroquinolin-2-yl)-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (8-chloroquinolin-2-yl)-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is CCc1cn[nH]c1C1CCCN(C(=O)c2ccc3cccc(Cl)c3n2)C1.
What is the InChIKey of (8-chloroquinolin-2-yl)-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is RPUZVFJUFDMYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-2-13-11-22-24-18(13)15-6-4-10-25(12-15)20(26)17-9-8-14-5-3-7-16(21)19(14)23-17/h3,5,7-9,11,15H,2,4,6,10,12H2,1H3,(H,22,24).
What are the key properties of (8-chloroquinolin-2-yl)-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(8-chloroquinolin-2-yl)-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 368.87 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloroquinolin-2-yl)-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56757447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).