1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone

C21H20ClN3O — CID 4885142

IUPAC1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1
InChIInChI=1S/C21H20ClN3O/c1-15(26)16-2-5-18(6-3-16)24-10-12-25(13-11-24)21-8-9-23-20-14-17(22)4-7-19(20)21/h2-9,14H,10-13H2,1H3
InChIKeyIPIOGWSGQVLPTL-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.42
Rot. Bonds3

About 1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone

1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone (PubChem CID 4885142) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
PubChem CID4885142
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1
InChIInChI=1S/C21H20ClN3O/c1-15(26)16-2-5-18(6-3-16)24-10-12-25(13-11-24)21-8-9-23-20-14-17(22)4-7-19(20)21/h2-9,14H,10-13H2,1H3
InChIKeyIPIOGWSGQVLPTL-UHFFFAOYSA-N
XLogP4.42
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone 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

N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 46227121
1,9-bis[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]nonane-1,9-dione
CID 10748618
1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673359
[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 57389219
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 171975814
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one
CID 57389220
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;sulfuric acid
CID 53353641
3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-3-methyl-2H-thiophene-2-carboxylic acid
CID 135236096
4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 21101797
5-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid
CID 10816810

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone (CID 4885142) is 1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1.
What is the InChIKey of 1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is IPIOGWSGQVLPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-15(26)16-2-5-18(6-3-16)24-10-12-25(13-11-24)21-8-9-23-20-14-17(22)4-7-19(20)21/h2-9,14H,10-13H2,1H3.
What are the key properties of 1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 365.86 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 4885142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).