7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline

C20H28ClN5 — CID 125340732

IUPAC7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline
SMILESClc1ccc2c(N3CCN(CCCN4CCNCC4)CC3)ccnc2c1
InChIInChI=1S/C20H28ClN5/c21-17-2-3-18-19(16-17)23-5-4-20(18)26-14-12-25(13-15-26)9-1-8-24-10-6-22-7-11-24/h2-5,16,22H,1,6-15H2
InChIKeyWVLGMLBIFBVXLO-UHFFFAOYSA-N
MW373.93 g/mol
LogP2.31
Rot. Bonds5

About 7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline

7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline (PubChem CID 125340732) has the molecular formula C20H28ClN5 and a molecular weight of 373.93 g/mol. Its IUPAC name is 7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline
PubChem CID125340732
Molecular FormulaC20H28ClN5
Molecular Weight373.93 g/mol
Exact Mass373.20
IUPAC Name7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline
SMILESClc1ccc2c(N3CCN(CCCN4CCNCC4)CC3)ccnc2c1
InChIInChI=1S/C20H28ClN5/c21-17-2-3-18-19(16-17)23-5-4-20(18)26-14-12-25(13-15-26)9-1-8-24-10-6-22-7-11-24/h2-5,16,22H,1,6-15H2
InChIKeyWVLGMLBIFBVXLO-UHFFFAOYSA-N
XLogP2.31
TPSA34.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-[4,8-bis(7-chloroquinolin-4-yl)-1,4,8,11-tetrazacyclotetradec-1-yl]-7-chloroquinoline
CID 10747137
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 171975814
1-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-3-piperidin-1-ylpropan-1-one
CID 10438408
4-[4-[4-(5-azidopentoxy)butyl]piperazin-1-yl]-7-chloroquinoline
CID 172719265
1,9-bis[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]nonane-1,9-dione
CID 10748618
N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide
CID 42704553
7-chloro-4-(3-methylpiperazin-1-yl)quinoline
CID 21101961
4-(7-chloroquinolin-4-yl)piperazin-2-one
CID 39847442
sodium 4-piperazin-1-ylquinolin-7-olate
CID 141086656

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline?
The IUPAC name of 7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline (CID 125340732) is 7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline.
What is the SMILES notation for 7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline?
The canonical SMILES for 7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline is Clc1ccc2c(N3CCN(CCCN4CCNCC4)CC3)ccnc2c1.
What is the InChIKey of 7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline?
The InChIKey is WVLGMLBIFBVXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5/c21-17-2-3-18-19(16-17)23-5-4-20(18)26-14-12-25(13-15-26)9-1-8-24-10-6-22-7-11-24/h2-5,16,22H,1,6-15H2.
What are the key properties of 7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline?
7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline has a molecular weight of 373.93 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline is sourced from PubChem (CID 125340732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).