7-chloro-4-[4-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]piperazin-1-yl]quinoline;hydrochloride

C28H31Cl3N6 — CID 44522352

IUPAC7-chloro-4-[4-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]piperazin-1-yl]quinoline;hydrochloride
SMILESCl.Clc1ccc2c(N3CCN(CCN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1
InChIInChI=1S/C28H30Cl2N6.ClH/c29-21-1-3-23-25(19-21)31-7-5-27(23)35-15-11-33(12-16-35)9-10-34-13-17-36(18-14-34)28-6-8-32-26-20-22(30)2-4-24(26)28;/h1-8,19-20H,9-18H2;1H
InChIKeyRHAGUCLSMDLRMR-UHFFFAOYSA-N
MW557.96 g/mol
LogP5.46
Rot. Bonds5

About 7-chloro-4-[4-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]piperazin-1-yl]quinoline;hydrochloride

7-chloro-4-[4-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]piperazin-1-yl]quinoline;hydrochloride (PubChem CID 44522352) has the molecular formula C28H31Cl3N6 and a molecular weight of 557.96 g/mol. Its IUPAC name is 7-chloro-4-[4-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]piperazin-1-yl]quinoline;hydrochloride.

Molecular Properties

Compound Name7-chloro-4-[4-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]piperazin-1-yl]quinoline;hydrochloride
PubChem CID44522352
Molecular FormulaC28H31Cl3N6
Molecular Weight557.96 g/mol
Exact Mass556.17
IUPAC Name7-chloro-4-[4-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]piperazin-1-yl]quinoline;hydrochloride
SMILESCl.Clc1ccc2c(N3CCN(CCN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1
InChIInChI=1S/C28H30Cl2N6.ClH/c29-21-1-3-23-25(19-21)31-7-5-27(23)35-15-11-33(12-16-35)9-10-34-13-17-36(18-14-34)28-6-8-32-26-20-22(30)2-4-24(26)28;/h1-8,19-20H,9-18H2;1H
InChIKeyRHAGUCLSMDLRMR-UHFFFAOYSA-N
XLogP5.46
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.96
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[4-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]piperazin-1-yl]quinoline;hydrochloride?
The IUPAC name of 7-chloro-4-[4-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]piperazin-1-yl]quinoline;hydrochloride (CID 44522352) is 7-chloro-4-[4-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]piperazin-1-yl]quinoline;hydrochloride.
What is the SMILES notation for 7-chloro-4-[4-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]piperazin-1-yl]quinoline;hydrochloride?
The canonical SMILES for 7-chloro-4-[4-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]piperazin-1-yl]quinoline;hydrochloride is Cl.Clc1ccc2c(N3CCN(CCN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1.
What is the InChIKey of 7-chloro-4-[4-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]piperazin-1-yl]quinoline;hydrochloride?
The InChIKey is RHAGUCLSMDLRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2N6.ClH/c29-21-1-3-23-25(19-21)31-7-5-27(23)35-15-11-33(12-16-35)9-10-34-13-17-36(18-14-34)28-6-8-32-26-20-22(30)2-4-24(26)28;/h1-8,19-20H,9-18H2;1H.
What are the key properties of 7-chloro-4-[4-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]piperazin-1-yl]quinoline;hydrochloride?
7-chloro-4-[4-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]piperazin-1-yl]quinoline;hydrochloride has a molecular weight of 557.96 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[4-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]piperazin-1-yl]quinoline;hydrochloride is sourced from PubChem (CID 44522352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).