1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(6-hydroxyquinolin-2-yl)oxyethanone

C22H22ClN3O3 — CID 22264482

IUPAC1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(6-hydroxyquinolin-2-yl)oxyethanone
SMILESO=C(COc1ccc2cc(O)ccc2n1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H22ClN3O3/c23-18-4-1-16(2-5-18)14-25-9-11-26(12-10-25)22(28)15-29-21-8-3-17-13-19(27)6-7-20(17)24-21/h1-8,13,27H,9-12,14-15H2
InChIKeyYUOWNOQOHDPQML-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.32
Rot. Bonds5

About 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(6-hydroxyquinolin-2-yl)oxyethanone

1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(6-hydroxyquinolin-2-yl)oxyethanone (PubChem CID 22264482) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(6-hydroxyquinolin-2-yl)oxyethanone.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(6-hydroxyquinolin-2-yl)oxyethanone
PubChem CID22264482
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(6-hydroxyquinolin-2-yl)oxyethanone
SMILESO=C(COc1ccc2cc(O)ccc2n1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H22ClN3O3/c23-18-4-1-16(2-5-18)14-25-9-11-26(12-10-25)22(28)15-29-21-8-3-17-13-19(27)6-7-20(17)24-21/h1-8,13,27H,9-12,14-15H2
InChIKeyYUOWNOQOHDPQML-UHFFFAOYSA-N
XLogP3.32
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78806252
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,3,6-trichlorophenoxy)ethanone
CID 22264131
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 2878289
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,4,6-tribromo-3,5-dimethylphenoxy)ethanone
CID 22263882
2-(4-chlorophenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52988489
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,3,4-trifluorophenoxy)ethanone
CID 22264972
2-[2,6-bis(hydroxymethyl)-4-methylphenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 22264424
2-[2-(1,3-benzoxazol-2-yl)phenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 22263702
3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-7-hydroxy-2-phenylchromen-4-one
CID 22264820
2-(benzotriazol-1-yloxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 22265230
2-(3-amino-2-methylphenoxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 22264376
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[2-fluoro-5-(trifluoromethyl)phenoxy]ethanone
CID 22264713

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(6-hydroxyquinolin-2-yl)oxyethanone?
The IUPAC name of 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(6-hydroxyquinolin-2-yl)oxyethanone (CID 22264482) is 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(6-hydroxyquinolin-2-yl)oxyethanone.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(6-hydroxyquinolin-2-yl)oxyethanone?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(6-hydroxyquinolin-2-yl)oxyethanone is O=C(COc1ccc2cc(O)ccc2n1)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(6-hydroxyquinolin-2-yl)oxyethanone?
The InChIKey is YUOWNOQOHDPQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c23-18-4-1-16(2-5-18)14-25-9-11-26(12-10-25)22(28)15-29-21-8-3-17-13-19(27)6-7-20(17)24-21/h1-8,13,27H,9-12,14-15H2.
What are the key properties of 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(6-hydroxyquinolin-2-yl)oxyethanone?
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(6-hydroxyquinolin-2-yl)oxyethanone has a molecular weight of 411.89 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(6-hydroxyquinolin-2-yl)oxyethanone is sourced from PubChem (CID 22264482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).