2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;chlororuthenium;bis(4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine);bis(2,6-dipyridin-2-ylpyridine);4-[(E)-2-(4-ethyl-2-methoxyphenyl)ethenyl]pyrimidine;bis(2-pyridin-2-ylpyridine);2-quinolin-2-ylquinoline;ruthenium

C131H106ClN20O9Ru3 — CID 158718664

IUPAC2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;chlororuthenium;bis(4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine);bis(2,6-dipyridin-2-ylpyridine);4-[(E)-2-(4-ethyl-2-methoxyphenyl)ethenyl]pyrimidine;bis(2-pyridin-2-ylpyridine);2-quinolin-2-ylquinoline;ruthenium
SMILESCCc1ccc(/C=C/c2ccncn2)c(OC)c1.COc1ccc(/C=C/c2ccncn2)c(OC)c1.COc1ccc(/C=C/c2ccncn2)c(OC)c1.Cl[Ru].O=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.[Ru].[Ru].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C20H12N2O4.C18H12N2.2C15H11N3.C15H16N2O.2C14H14N2O2.2C10H8N2.ClH.3Ru/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-12-4-5-13(15(10-12)18-2)6-7-14-8-9-16-11-17-14;2*1-17-13-6-4-11(14(9-13)18-2)3-5-12-7-8-15-10-16-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;/h1-10H,(H,23,24)(H,25,26);1-12H;2*1-11H;4-11H,3H2,1-2H3;2*3-10H,1-2H3;2*1-8H;1H;;;/q;;;;;;;;;;;;+1/p-1/b;;;;7-6+;2*5-3+;;;;;;
InChIKeyIJQFWSIEFBCPIB-ADCNXUNJSA-M
MW2443.08 g/mol
LogP28.22
Rot. Bonds22

About 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;chlororuthenium;bis(4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine);bis(2,6-dipyridin-2-ylpyridine);4-[(E)-2-(4-ethyl-2-methoxyphenyl)ethenyl]pyrimidine;bis(2-pyridin-2-ylpyridine);2-quinolin-2-ylquinoline;ruthenium

2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;chlororuthenium;bis(4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine);bis(2,6-dipyridin-2-ylpyridine);4-[(E)-2-(4-ethyl-2-methoxyphenyl)ethenyl]pyrimidine;bis(2-pyridin-2-ylpyridine);2-quinolin-2-ylquinoline;ruthenium (PubChem CID 158718664) has the molecular formula C131H106ClN20O9Ru3 and a molecular weight of 2443.08 g/mol. Its IUPAC name is 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;chlororuthenium;bis(4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine);bis(2,6-dipyridin-2-ylpyridine);4-[(E)-2-(4-ethyl-2-methoxyphenyl)ethenyl]pyrimidine;bis(2-pyridin-2-ylpyridine);2-quinolin-2-ylquinoline;ruthenium.

Molecular Properties

Compound Name2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;chlororuthenium;bis(4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine);bis(2,6-dipyridin-2-ylpyridine);4-[(E)-2-(4-ethyl-2-methoxyphenyl)ethenyl]pyrimidine;bis(2-pyridin-2-ylpyridine);2-quinolin-2-ylquinoline;ruthenium
PubChem CID158718664
Molecular FormulaC131H106ClN20O9Ru3
Molecular Weight2443.08 g/mol
Exact Mass2443.53
IUPAC Name2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;chlororuthenium;bis(4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine);bis(2,6-dipyridin-2-ylpyridine);4-[(E)-2-(4-ethyl-2-methoxyphenyl)ethenyl]pyrimidine;bis(2-pyridin-2-ylpyridine);2-quinolin-2-ylquinoline;ruthenium
SMILESCCc1ccc(/C=C/c2ccncn2)c(OC)c1.COc1ccc(/C=C/c2ccncn2)c(OC)c1.COc1ccc(/C=C/c2ccncn2)c(OC)c1.Cl[Ru].O=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.[Ru].[Ru].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C20H12N2O4.C18H12N2.2C15H11N3.C15H16N2O.2C14H14N2O2.2C10H8N2.ClH.3Ru/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-12-4-5-13(15(10-12)18-2)6-7-14-8-9-16-11-17-14;2*1-17-13-6-4-11(14(9-13)18-2)3-5-12-7-8-15-10-16-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;/h1-10H,(H,23,24)(H,25,26);1-12H;2*1-11H;4-11H,3H2,1-2H3;2*3-10H,1-2H3;2*1-8H;1H;;;/q;;;;;;;;;;;;+1/p-1/b;;;;7-6+;2*5-3+;;;;;;
InChIKeyIJQFWSIEFBCPIB-ADCNXUNJSA-M
XLogP28.22
TPSA378.55 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002443.08
LogP ≤ 528.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;chlororuthenium;bis(4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine);bis(2,6-dipyridin-2-ylpyridine);4-[(E)-2-(4-ethyl-2-methoxyphenyl)ethenyl]pyrimidine;bis(2-pyridin-2-ylpyridine);2-quinolin-2-ylquinoline;ruthenium with MolForge

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Related Compounds

(2,4-dimethoxyphenyl)-(6-pyridin-2-yl-2-pyridinyl)methanone
CID 135252418
copper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline
CID 158944802
5-methoxy-2-quinolin-2-ylbenzoic acid
CID 116644950
6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride
CID 46779788
dichlororuthenium;bis(2-(4-formyloxyquinolin-2-yl)quinoline-4-carboxylic acid);1,10-phenanthroline;bis(2-quinolin-2-ylquinoline);ruthenium
CID 161163604
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-8-phenylmethoxyquinoline
CID 11839791
2-(2,4-dimethoxyphenyl)-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 6875005
(NE)-N-[(6-methoxynaphthalen-2-yl)-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
CID 142403341
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate
CID 54142330
N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798247

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;chlororuthenium;bis(4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine);bis(2,6-dipyridin-2-ylpyridine);4-[(E)-2-(4-ethyl-2-methoxyphenyl)ethenyl]pyrimidine;bis(2-pyridin-2-ylpyridine);2-quinolin-2-ylquinoline;ruthenium?
The IUPAC name of 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;chlororuthenium;bis(4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine);bis(2,6-dipyridin-2-ylpyridine);4-[(E)-2-(4-ethyl-2-methoxyphenyl)ethenyl]pyrimidine;bis(2-pyridin-2-ylpyridine);2-quinolin-2-ylquinoline;ruthenium (CID 158718664) is 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;chlororuthenium;bis(4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine);bis(2,6-dipyridin-2-ylpyridine);4-[(E)-2-(4-ethyl-2-methoxyphenyl)ethenyl]pyrimidine;bis(2-pyridin-2-ylpyridine);2-quinolin-2-ylquinoline;ruthenium.
What is the SMILES notation for 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;chlororuthenium;bis(4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine);bis(2,6-dipyridin-2-ylpyridine);4-[(E)-2-(4-ethyl-2-methoxyphenyl)ethenyl]pyrimidine;bis(2-pyridin-2-ylpyridine);2-quinolin-2-ylquinoline;ruthenium?
The canonical SMILES for 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;chlororuthenium;bis(4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine);bis(2,6-dipyridin-2-ylpyridine);4-[(E)-2-(4-ethyl-2-methoxyphenyl)ethenyl]pyrimidine;bis(2-pyridin-2-ylpyridine);2-quinolin-2-ylquinoline;ruthenium is CCc1ccc(/C=C/c2ccncn2)c(OC)c1.COc1ccc(/C=C/c2ccncn2)c(OC)c1.COc1ccc(/C=C/c2ccncn2)c(OC)c1.Cl[Ru].O=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.[Ru].[Ru].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.
What is the InChIKey of 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;chlororuthenium;bis(4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine);bis(2,6-dipyridin-2-ylpyridine);4-[(E)-2-(4-ethyl-2-methoxyphenyl)ethenyl]pyrimidine;bis(2-pyridin-2-ylpyridine);2-quinolin-2-ylquinoline;ruthenium?
The InChIKey is IJQFWSIEFBCPIB-ADCNXUNJSA-M. The full InChI is InChI=1S/C20H12N2O4.C18H12N2.2C15H11N3.C15H16N2O.2C14H14N2O2.2C10H8N2.ClH.3Ru/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-12-4-5-13(15(10-12)18-2)6-7-14-8-9-16-11-17-14;2*1-17-13-6-4-11(14(9-13)18-2)3-5-12-7-8-15-10-16-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;/h1-10H,(H,23,24)(H,25,26);1-12H;2*1-11H;4-11H,3H2,1-2H3;2*3-10H,1-2H3;2*1-8H;1H;;;/q;;;;;;;;;;;;+1/p-1/b;;;;7-6+;2*5-3+;;;;;;.
What are the key properties of 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;chlororuthenium;bis(4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine);bis(2,6-dipyridin-2-ylpyridine);4-[(E)-2-(4-ethyl-2-methoxyphenyl)ethenyl]pyrimidine;bis(2-pyridin-2-ylpyridine);2-quinolin-2-ylquinoline;ruthenium?
2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;chlororuthenium;bis(4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine);bis(2,6-dipyridin-2-ylpyridine);4-[(E)-2-(4-ethyl-2-methoxyphenyl)ethenyl]pyrimidine;bis(2-pyridin-2-ylpyridine);2-quinolin-2-ylquinoline;ruthenium has a molecular weight of 2443.08 g/mol, XLogP of 28.22, 22 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;chlororuthenium;bis(4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine);bis(2,6-dipyridin-2-ylpyridine);4-[(E)-2-(4-ethyl-2-methoxyphenyl)ethenyl]pyrimidine;bis(2-pyridin-2-ylpyridine);2-quinolin-2-ylquinoline;ruthenium is sourced from PubChem (CID 158718664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).