1-[5-chloro-8-(4-cyclohexylpiperazin-1-yl)quinolin-7-yl]ethanone

C21H26ClN3O — CID 58368581

IUPAC1-[5-chloro-8-(4-cyclohexylpiperazin-1-yl)quinolin-7-yl]ethanone
SMILESCC(=O)c1cc(Cl)c2cccnc2c1N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H26ClN3O/c1-15(26)18-14-19(22)17-8-5-9-23-20(17)21(18)25-12-10-24(11-13-25)16-6-3-2-4-7-16/h5,8-9,14,16H,2-4,6-7,10-13H2,1H3
InChIKeyZZMMBLYYMOAPHN-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.55
Rot. Bonds3

About 1-[5-chloro-8-(4-cyclohexylpiperazin-1-yl)quinolin-7-yl]ethanone

1-[5-chloro-8-(4-cyclohexylpiperazin-1-yl)quinolin-7-yl]ethanone (PubChem CID 58368581) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is 1-[5-chloro-8-(4-cyclohexylpiperazin-1-yl)quinolin-7-yl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-8-(4-cyclohexylpiperazin-1-yl)quinolin-7-yl]ethanone
PubChem CID58368581
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name1-[5-chloro-8-(4-cyclohexylpiperazin-1-yl)quinolin-7-yl]ethanone
SMILESCC(=O)c1cc(Cl)c2cccnc2c1N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H26ClN3O/c1-15(26)18-14-19(22)17-8-5-9-23-20(17)21(18)25-12-10-24(11-13-25)16-6-3-2-4-7-16/h5,8-9,14,16H,2-4,6-7,10-13H2,1H3
InChIKeyZZMMBLYYMOAPHN-UHFFFAOYSA-N
XLogP4.55
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-chloro-8-(4-cyclohexylpiperazin-1-yl)quinolin-7-yl]ethanone 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 1-[5-chloro-8-(4-cyclohexylpiperazin-1-yl)quinolin-7-yl]ethanone?
The IUPAC name of 1-[5-chloro-8-(4-cyclohexylpiperazin-1-yl)quinolin-7-yl]ethanone (CID 58368581) is 1-[5-chloro-8-(4-cyclohexylpiperazin-1-yl)quinolin-7-yl]ethanone.
What is the SMILES notation for 1-[5-chloro-8-(4-cyclohexylpiperazin-1-yl)quinolin-7-yl]ethanone?
The canonical SMILES for 1-[5-chloro-8-(4-cyclohexylpiperazin-1-yl)quinolin-7-yl]ethanone is CC(=O)c1cc(Cl)c2cccnc2c1N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-[5-chloro-8-(4-cyclohexylpiperazin-1-yl)quinolin-7-yl]ethanone?
The InChIKey is ZZMMBLYYMOAPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-15(26)18-14-19(22)17-8-5-9-23-20(17)21(18)25-12-10-24(11-13-25)16-6-3-2-4-7-16/h5,8-9,14,16H,2-4,6-7,10-13H2,1H3.
What are the key properties of 1-[5-chloro-8-(4-cyclohexylpiperazin-1-yl)quinolin-7-yl]ethanone?
1-[5-chloro-8-(4-cyclohexylpiperazin-1-yl)quinolin-7-yl]ethanone has a molecular weight of 371.91 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-8-(4-cyclohexylpiperazin-1-yl)quinolin-7-yl]ethanone is sourced from PubChem (CID 58368581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).