1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone

C23H25N3O2 — CID 99838467

IUPAC1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
SMILESCc1cccc(N2CCN(C(=O)COc3cccc4cccnc34)CC2)c1C
InChIInChI=1S/C23H25N3O2/c1-17-6-3-9-20(18(17)2)25-12-14-26(15-13-25)22(27)16-28-21-10-4-7-19-8-5-11-24-23(19)21/h3-11H,12-16H2,1-2H3
InChIKeyFMXHTYJSAHZWSD-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.58
Rot. Bonds4

About 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone (PubChem CID 99838467) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
PubChem CID99838467
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
SMILESCc1cccc(N2CCN(C(=O)COc3cccc4cccnc34)CC2)c1C
InChIInChI=1S/C23H25N3O2/c1-17-6-3-9-20(18(17)2)25-12-14-26(15-13-25)22(27)16-28-21-10-4-7-19-8-5-11-24-23(19)21/h3-11H,12-16H2,1-2H3
InChIKeyFMXHTYJSAHZWSD-UHFFFAOYSA-N
XLogP3.58
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 2669189
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
CID 110855024
1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
CID 110849960
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
CID 9154776
2-(2,5-dimethylphenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 2709451
4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde
CID 110850159
2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 934031
2-(2,4-dichlorophenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 1292697
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 112791473
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethanone
CID 19066195
2-(2,3-dimethylphenoxy)-1-[4-[2-(2,3-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108546513

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone?
The IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone (CID 99838467) is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone.
What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone?
The canonical SMILES for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone is Cc1cccc(N2CCN(C(=O)COc3cccc4cccnc34)CC2)c1C.
What is the InChIKey of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone?
The InChIKey is FMXHTYJSAHZWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-6-3-9-20(18(17)2)25-12-14-26(15-13-25)22(27)16-28-21-10-4-7-19-8-5-11-24-23(19)21/h3-11H,12-16H2,1-2H3.
What are the key properties of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone?
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone has a molecular weight of 375.47 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone is sourced from PubChem (CID 99838467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).