1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one

C19H24ClN3O — CID 57389220

IUPAC1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H24ClN3O/c1-2-3-4-5-19(24)23-12-10-22(11-13-23)18-8-9-21-17-14-15(20)6-7-16(17)18/h6-9,14H,2-5,10-13H2,1H3
InChIKeyGLPVPYGJMWRJHY-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.12
Rot. Bonds5

About 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one

1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one (PubChem CID 57389220) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one.

Molecular Properties

Compound Name1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one
PubChem CID57389220
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H24ClN3O/c1-2-3-4-5-19(24)23-12-10-22(11-13-23)18-8-9-21-17-14-15(20)6-7-16(17)18/h6-9,14H,2-5,10-13H2,1H3
InChIKeyGLPVPYGJMWRJHY-UHFFFAOYSA-N
XLogP4.12
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,9-bis[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]nonane-1,9-dione
CID 10748618
5-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid
CID 10816810
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone
CID 134130907
1-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-3-piperidin-1-ylpropan-1-one
CID 10438408
N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide
CID 42704553
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 46227121
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
CID 31399591
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
1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 4885142
ethyl 2-[4-(7-chloroquinolin-4-yl)-1,4-diazepan-1-yl]acetate
CID 133346351
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;sulfuric acid
CID 53353641
4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 21101797

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one?
The IUPAC name of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one (CID 57389220) is 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one.
What is the SMILES notation for 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one?
The canonical SMILES for 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one is CCCCCC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one?
The InChIKey is GLPVPYGJMWRJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-2-3-4-5-19(24)23-12-10-22(11-13-23)18-8-9-21-17-14-15(20)6-7-16(17)18/h6-9,14H,2-5,10-13H2,1H3.
What are the key properties of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one?
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one has a molecular weight of 345.87 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one is sourced from PubChem (CID 57389220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).