7-chloro-4-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]piperazin-1-yl]quinoline

C27H28Cl2N6 — CID 10744204

IUPAC7-chloro-4-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]piperazin-1-yl]quinoline
SMILESClc1ccc2c(N3CCN(CN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1
InChIInChI=1S/C27H28Cl2N6/c28-20-1-3-22-24(17-20)30-7-5-26(22)34-13-9-32(10-14-34)19-33-11-15-35(16-12-33)27-6-8-31-25-18-21(29)2-4-23(25)27/h1-8,17-18H,9-16,19H2
InChIKeyQKHHJHITDHSHKU-UHFFFAOYSA-N
MW507.47 g/mol
LogP4.99
Rot. Bonds4

About 7-chloro-4-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]piperazin-1-yl]quinoline

7-chloro-4-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]piperazin-1-yl]quinoline (PubChem CID 10744204) has the molecular formula C27H28Cl2N6 and a molecular weight of 507.47 g/mol. Its IUPAC name is 7-chloro-4-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]piperazin-1-yl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]piperazin-1-yl]quinoline
PubChem CID10744204
Molecular FormulaC27H28Cl2N6
Molecular Weight507.47 g/mol
Exact Mass506.18
IUPAC Name7-chloro-4-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]piperazin-1-yl]quinoline
SMILESClc1ccc2c(N3CCN(CN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1
InChIInChI=1S/C27H28Cl2N6/c28-20-1-3-22-24(17-20)30-7-5-26(22)34-13-9-32(10-14-34)19-33-11-15-35(16-12-33)27-6-8-31-25-18-21(29)2-4-23(25)27/h1-8,17-18H,9-16,19H2
InChIKeyQKHHJHITDHSHKU-UHFFFAOYSA-N
XLogP4.99
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.47
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-chloro-4-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]piperazin-1-yl]quinoline with MolForge

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Related Compounds

Piperaquine
CID 122262
Nsc343227
CID 335083
7-Chloro-4-(piperazin-1-yl)quinoline
CID 738389
Dm-1157
CID 25208163
7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine
CID 4791782
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
7-Chloro-4-(4-methyl-1-piperazinyl)quinoline
CID 7275193
Piperaquine Phosphate
CID 174478
7-Chloro-3-pyridin-4-yl-quinoline
CID 10354294
Lys01
CID 70673567
trans-(1R,2R)-1-N,2-N-bis(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine
CID 9910932
7-chloro-N-(3-(4-(3-(diisobutylamino)propyl)piperazin-1-yl)propyl)quinolin-4-amine
CID 10096425

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]piperazin-1-yl]quinoline?
The IUPAC name of 7-chloro-4-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]piperazin-1-yl]quinoline (CID 10744204) is 7-chloro-4-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]piperazin-1-yl]quinoline.
What is the SMILES notation for 7-chloro-4-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]piperazin-1-yl]quinoline?
The canonical SMILES for 7-chloro-4-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]piperazin-1-yl]quinoline is Clc1ccc2c(N3CCN(CN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1.
What is the InChIKey of 7-chloro-4-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]piperazin-1-yl]quinoline?
The InChIKey is QKHHJHITDHSHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N6/c28-20-1-3-22-24(17-20)30-7-5-26(22)34-13-9-32(10-14-34)19-33-11-15-35(16-12-33)27-6-8-31-25-18-21(29)2-4-23(25)27/h1-8,17-18H,9-16,19H2.
What are the key properties of 7-chloro-4-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]piperazin-1-yl]quinoline?
7-chloro-4-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]piperazin-1-yl]quinoline has a molecular weight of 507.47 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]piperazin-1-yl]quinoline is sourced from PubChem (CID 10744204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).