[4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone

C22H23N3O2 — CID 17455550

IUPAC[4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c26-22(20-8-4-10-21-19(20)9-5-11-23-21)25-14-12-24(13-15-25)16-17-27-18-6-2-1-3-7-18/h1-11H,12-17H2
InChIKeyARRKBMBVTSOBPL-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.07
Rot. Bonds5

About [4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone

[4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone (PubChem CID 17455550) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is [4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone.

Molecular Properties

Compound Name[4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone
PubChem CID17455550
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name[4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c26-22(20-8-4-10-21-19(20)9-5-11-23-21)25-14-12-24(13-15-25)16-17-27-18-6-2-1-3-7-18/h1-11H,12-17H2
InChIKeyARRKBMBVTSOBPL-UHFFFAOYSA-N
XLogP3.07
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 119946208
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
[4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-quinolin-4-ylmethanone
CID 59250163
[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone
CID 90683529
[4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone
CID 70707188
quinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 37358886
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
CID 45272100
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone
CID 55724132
4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide
CID 87011077
(2-chlorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638152

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone?
The IUPAC name of [4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone (CID 17455550) is [4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone.
What is the SMILES notation for [4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone?
The canonical SMILES for [4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone is O=C(c1cccc2ncccc12)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of [4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone?
The InChIKey is ARRKBMBVTSOBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-22(20-8-4-10-21-19(20)9-5-11-23-21)25-14-12-24(13-15-25)16-17-27-18-6-2-1-3-7-18/h1-11H,12-17H2.
What are the key properties of [4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone?
[4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone has a molecular weight of 361.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone is sourced from PubChem (CID 17455550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).