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

C43H60Cl2N10 — CID 11840452

IUPAC7-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
SMILESClc1ccc2c(N3CCN(CCCN4CCN(CCCN5CCN(CCCN6CCN(c7ccnc8cc(Cl)ccc78)CC6)CC5)CC4)CC3)ccnc2c1
InChIInChI=1S/C43H60Cl2N10/c44-36-4-6-38-40(34-36)46-10-8-42(38)54-30-26-52(27-31-54)16-2-14-50-22-18-48(19-23-50)12-1-13-49-20-24-51(25-21-49)15-3-17-53-28-32-55(33-29-53)43-9-11-47-41-35-37(45)5-7-39(41)43/h4-11,34-35H,1-3,12-33H2
InChIKeyBQIGVNZTSMCUDR-UHFFFAOYSA-N
MW787.93 g/mol
LogP5.44
Rot. Bonds14

About 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

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 (PubChem CID 11840452) has the molecular formula C43H60Cl2N10 and a molecular weight of 787.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID11840452
Molecular FormulaC43H60Cl2N10
Molecular Weight787.93 g/mol
Exact Mass786.44
IUPAC Name7-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
SMILESClc1ccc2c(N3CCN(CCCN4CCN(CCCN5CCN(CCCN6CCN(c7ccnc8cc(Cl)ccc78)CC6)CC5)CC4)CC3)ccnc2c1
InChIInChI=1S/C43H60Cl2N10/c44-36-4-6-38-40(34-36)46-10-8-42(38)54-30-26-52(27-31-54)16-2-14-50-22-18-48(19-23-50)12-1-13-49-20-24-51(25-21-49)15-3-17-53-28-32-55(33-29-53)43-9-11-47-41-35-37(45)5-7-39(41)43/h4-11,34-35H,1-3,12-33H2
InChIKeyBQIGVNZTSMCUDR-UHFFFAOYSA-N
XLogP5.44
TPSA51.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.93
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline
CID 125340732
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;sulfuric acid
CID 53353641
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 171975814
4-[4-[4-(5-azidopentoxy)butyl]piperazin-1-yl]-7-chloroquinoline
CID 172719265
N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide
CID 42704553
1-[5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]pentyl]-5-methylindole-2,3-dione
CID 86576849
1-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-3-piperidin-1-ylpropan-1-one
CID 10438408
4-[4,8-bis(7-chloroquinolin-4-yl)-1,4,8,11-tetrazacyclotetradec-1-yl]-7-chloroquinoline
CID 10747137
1,9-bis[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]nonane-1,9-dione
CID 10748618
7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride
CID 68858916
3-[5-[4-(7-chloroquinolin-4-yl)-1,4-diazepan-1-yl]pentoxy]-2,4-dimethyl-2H-thiophen-5-one
CID 54577598

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Clc1ccc2c(N3CCN(CCCN4CCN(CCCN5CCN(CCCN6CCN(c7ccnc8cc(Cl)ccc78)CC6)CC5)CC4)CC3)ccnc2c1.
What is the InChIKey of 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?
The InChIKey is BQIGVNZTSMCUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H60Cl2N10/c44-36-4-6-38-40(34-36)46-10-8-42(38)54-30-26-52(27-31-54)16-2-14-50-22-18-48(19-23-50)12-1-13-49-20-24-51(25-21-49)15-3-17-53-28-32-55(33-29-53)43-9-11-47-41-35-37(45)5-7-39(41)43/h4-11,34-35H,1-3,12-33H2.
What are the key properties of 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?
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 has a molecular weight of 787.93 g/mol, XLogP of 5.44, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11840452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).