1-(4-methylpiperazin-1-yl)-2-(2-phenylquinolin-4-yl)oxyethanone

C22H23N3O2 — CID 2728438

IUPAC1-(4-methylpiperazin-1-yl)-2-(2-phenylquinolin-4-yl)oxyethanone
SMILESCN1CCN(C(=O)COc2cc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C22H23N3O2/c1-24-11-13-25(14-12-24)22(26)16-27-21-15-20(17-7-3-2-4-8-17)23-19-10-6-5-9-18(19)21/h2-10,15H,11-14,16H2,1H3
InChIKeyCCSJOSOQEPSMMK-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.05
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-2-(2-phenylquinolin-4-yl)oxyethanone

1-(4-methylpiperazin-1-yl)-2-(2-phenylquinolin-4-yl)oxyethanone (PubChem CID 2728438) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(2-phenylquinolin-4-yl)oxyethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(2-phenylquinolin-4-yl)oxyethanone
PubChem CID2728438
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(2-phenylquinolin-4-yl)oxyethanone
SMILESCN1CCN(C(=O)COc2cc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C22H23N3O2/c1-24-11-13-25(14-12-24)22(26)16-27-21-15-20(17-7-3-2-4-8-17)23-19-10-6-5-9-18(19)21/h2-10,15H,11-14,16H2,1H3
InChIKeyCCSJOSOQEPSMMK-UHFFFAOYSA-N
XLogP3.05
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(2-phenylquinolin-4-yl)oxyethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(2-phenylquinolin-4-yl)oxyethanone (CID 2728438) is 1-(4-methylpiperazin-1-yl)-2-(2-phenylquinolin-4-yl)oxyethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(2-phenylquinolin-4-yl)oxyethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(2-phenylquinolin-4-yl)oxyethanone is CN1CCN(C(=O)COc2cc(-c3ccccc3)nc3ccccc23)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(2-phenylquinolin-4-yl)oxyethanone?
The InChIKey is CCSJOSOQEPSMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-24-11-13-25(14-12-24)22(26)16-27-21-15-20(17-7-3-2-4-8-17)23-19-10-6-5-9-18(19)21/h2-10,15H,11-14,16H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(2-phenylquinolin-4-yl)oxyethanone?
1-(4-methylpiperazin-1-yl)-2-(2-phenylquinolin-4-yl)oxyethanone has a molecular weight of 361.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(2-phenylquinolin-4-yl)oxyethanone is sourced from PubChem (CID 2728438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).