3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazolidin-2-one

C25H28N4O2 — CID 11304596

IUPAC3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc2c(N3CCN(CCc4cccc(N5CCOC5=O)c4)CC3)cccc2n1
InChIInChI=1S/C25H28N4O2/c1-19-8-9-22-23(26-19)6-3-7-24(22)28-14-12-27(13-15-28)11-10-20-4-2-5-21(18-20)29-16-17-31-25(29)30/h2-9,18H,10-17H2,1H3
InChIKeyZGKITGMYHCRUFD-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.86
Rot. Bonds5

About 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazolidin-2-one

3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 11304596) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID11304596
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc2c(N3CCN(CCc4cccc(N5CCOC5=O)c4)CC3)cccc2n1
InChIInChI=1S/C25H28N4O2/c1-19-8-9-22-23(26-19)6-3-7-24(22)28-14-12-27(13-15-28)11-10-20-4-2-5-21(18-20)29-16-17-31-25(29)30/h2-9,18H,10-17H2,1H3
InChIKeyZGKITGMYHCRUFD-UHFFFAOYSA-N
XLogP3.86
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazolidin-2-one (CID 11304596) is 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazolidin-2-one is Cc1ccc2c(N3CCN(CCc4cccc(N5CCOC5=O)c4)CC3)cccc2n1.
What is the InChIKey of 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is ZGKITGMYHCRUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-19-8-9-22-23(26-19)6-3-7-24(22)28-14-12-27(13-15-28)11-10-20-4-2-5-21(18-20)29-16-17-31-25(29)30/h2-9,18H,10-17H2,1H3.
What are the key properties of 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazolidin-2-one?
3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 416.53 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11304596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).