2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(1H-pyridin-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine

C27H29ClN6 — CID 176517426

IUPAC2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(1H-pyridin-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESClc1ccc2c(N3CCN(CCN(CC4=C=CNC=C4)Cc4ccncc4)CC3)ccnc2c1
InChIInChI=1S/C27H29ClN6/c28-24-1-2-25-26(19-24)31-12-7-27(25)34-17-15-32(16-18-34)13-14-33(20-22-3-8-29-9-4-22)21-23-5-10-30-11-6-23/h1-5,7-12,19,30H,13-18,20-21H2
InChIKeyNOULAGWLUGZSQT-UHFFFAOYSA-N
MW473.02 g/mol
LogP4.06
Rot. Bonds8

About 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(1H-pyridin-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine

2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(1H-pyridin-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 176517426) has the molecular formula C27H29ClN6 and a molecular weight of 473.02 g/mol. Its IUPAC name is 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(1H-pyridin-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(1H-pyridin-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID176517426
Molecular FormulaC27H29ClN6
Molecular Weight473.02 g/mol
Exact Mass472.21
IUPAC Name2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(1H-pyridin-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESClc1ccc2c(N3CCN(CCN(CC4=C=CNC=C4)Cc4ccncc4)CC3)ccnc2c1
InChIInChI=1S/C27H29ClN6/c28-24-1-2-25-26(19-24)31-12-7-27(25)34-17-15-32(16-18-34)13-14-33(20-22-3-8-29-9-4-22)21-23-5-10-30-11-6-23/h1-5,7-12,19,30H,13-18,20-21H2
InChIKeyNOULAGWLUGZSQT-UHFFFAOYSA-N
XLogP4.06
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.02
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(1H-pyridin-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine with MolForge

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Related Compounds

N-benzyl-1-(7-chloroquinolin-4-yl)-N-(pyridin-4-ylmethyl)piperidin-4-amine;N,N-dibenzyl-2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethanamine
CID 157166603
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
bis(N-benzyl-2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)ethanamine);[4-[[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethylamino]-(4-ethylphenyl)methyl]phenyl]methanol
CID 160792467
7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline
CID 125340732
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;sulfuric acid
CID 53353641
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 171975814
4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 21101797
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-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone
CID 134130907
7-chloro-N-[3-[4-[1H-imidazol-2-ylmethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]quinolin-4-amine
CID 58476694

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(1H-pyridin-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(1H-pyridin-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine (CID 176517426) is 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(1H-pyridin-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(1H-pyridin-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(1H-pyridin-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine is Clc1ccc2c(N3CCN(CCN(CC4=C=CNC=C4)Cc4ccncc4)CC3)ccnc2c1.
What is the InChIKey of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(1H-pyridin-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is NOULAGWLUGZSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN6/c28-24-1-2-25-26(19-24)31-12-7-27(25)34-17-15-32(16-18-34)13-14-33(20-22-3-8-29-9-4-22)21-23-5-10-30-11-6-23/h1-5,7-12,19,30H,13-18,20-21H2.
What are the key properties of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(1H-pyridin-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine?
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(1H-pyridin-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 473.02 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(1H-pyridin-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 176517426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).