6,7-dimethoxy-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride

C20H26Cl4N4O2 — CID 171686356

IUPAC6,7-dimethoxy-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride
SMILESCOc1cc2nccc(-c3ccnc(N4CCNCC4)c3)c2cc1OC.Cl.Cl.Cl.Cl
InChIInChI=1S/C20H22N4O2.4ClH/c1-25-18-12-16-15(4-6-22-17(16)13-19(18)26-2)14-3-5-23-20(11-14)24-9-7-21-8-10-24;;;;/h3-6,11-13,21H,7-10H2,1-2H3;4*1H
InChIKeyXGRARSWDRXQBEJ-UHFFFAOYSA-N
MW496.27 g/mol
LogP4.41
Rot. Bonds4

About 6,7-dimethoxy-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride

6,7-dimethoxy-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride (PubChem CID 171686356) has the molecular formula C20H26Cl4N4O2 and a molecular weight of 496.27 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride
PubChem CID171686356
Molecular FormulaC20H26Cl4N4O2
Molecular Weight496.27 g/mol
Exact Mass494.08
IUPAC Name6,7-dimethoxy-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride
SMILESCOc1cc2nccc(-c3ccnc(N4CCNCC4)c3)c2cc1OC.Cl.Cl.Cl.Cl
InChIInChI=1S/C20H22N4O2.4ClH/c1-25-18-12-16-15(4-6-22-17(16)13-19(18)26-2)14-3-5-23-20(11-14)24-9-7-21-8-10-24;;;;/h3-6,11-13,21H,7-10H2,1-2H3;4*1H
InChIKeyXGRARSWDRXQBEJ-UHFFFAOYSA-N
XLogP4.41
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.27
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-2-methyl-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride
CID 171686344
4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethyl)quinoline;tetrahydrochloride
CID 171686354
4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethoxy)quinoline
CID 171686337
6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride
CID 90673657
1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine
CID 171059987
4-(2-piperazin-1-yl-4-pyridinyl)-2-(trifluoromethyl)quinoline;tetrahydrochloride
CID 171686350
1-[4-(1H-pyrazol-5-yl)-2-pyridinyl]piperazine
CID 105486911
4-[4-(2-methoxyphenyl)-2-pyridinyl]morpholine
CID 134375667
methane;4,6,7-trimethoxyquinoline
CID 157066291
[4-chloro-2-(2-piperazin-1-yl-4-pyridinyl)phenyl] 2,2-dimethylpropanoate
CID 175287819
7-methoxy-2-(2-morpholin-4-yl-4-pyridinyl)quinazoline-4,6-diamine
CID 175297707
6,7-dimethoxy-4-(4-piperazin-1-ylquinolin-7-yl)-1H-benzo[f][2]benzofuran-3-one
CID 165394402

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride?
The IUPAC name of 6,7-dimethoxy-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride (CID 171686356) is 6,7-dimethoxy-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride.
What is the SMILES notation for 6,7-dimethoxy-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride?
The canonical SMILES for 6,7-dimethoxy-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride is COc1cc2nccc(-c3ccnc(N4CCNCC4)c3)c2cc1OC.Cl.Cl.Cl.Cl.
What is the InChIKey of 6,7-dimethoxy-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride?
The InChIKey is XGRARSWDRXQBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.4ClH/c1-25-18-12-16-15(4-6-22-17(16)13-19(18)26-2)14-3-5-23-20(11-14)24-9-7-21-8-10-24;;;;/h3-6,11-13,21H,7-10H2,1-2H3;4*1H.
What are the key properties of 6,7-dimethoxy-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride?
6,7-dimethoxy-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride has a molecular weight of 496.27 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride is sourced from PubChem (CID 171686356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).