2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;ruthenium

C49H37N7O6Ru — CID 161315830

IUPAC2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;ruthenium
SMILESCOc1ccc(/C=C/c2ccncn2)c(OC)c1.O=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.[Ru].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C20H12N2O4.C15H11N3.C14H14N2O2.Ru/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;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-17-13-6-4-11(14(9-13)18-2)3-5-12-7-8-15-10-16-12;/h1-10H,(H,23,24)(H,25,26);1-11H;3-10H,1-2H3;/b;;5-3+;
InChIKeyVJMCQEHESKZSOJ-SXMYUENQSA-N
MW920.95 g/mol
LogP9.71
Rot. Bonds9

About 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;ruthenium

2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;ruthenium (PubChem CID 161315830) has the molecular formula C49H37N7O6Ru and a molecular weight of 920.95 g/mol. Its IUPAC name is 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;ruthenium.

Molecular Properties

Compound Name2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;ruthenium
PubChem CID161315830
Molecular FormulaC49H37N7O6Ru
Molecular Weight920.95 g/mol
Exact Mass921.18
IUPAC Name2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;ruthenium
SMILESCOc1ccc(/C=C/c2ccncn2)c(OC)c1.O=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.[Ru].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C20H12N2O4.C15H11N3.C14H14N2O2.Ru/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;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-17-13-6-4-11(14(9-13)18-2)3-5-12-7-8-15-10-16-12;/h1-10H,(H,23,24)(H,25,26);1-11H;3-10H,1-2H3;/b;;5-3+;
InChIKeyVJMCQEHESKZSOJ-SXMYUENQSA-N
XLogP9.71
TPSA183.29 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500920.95
LogP ≤ 59.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

2-(4-Formyloxyquinolin-2-yl)quinoline-4-carboxylate;2-(4-formyloxyquinolin-2-yl)quinoline-4-carboxylic acid;2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))
CID 58420828
2-(4-Formyloxyquinolin-2-yl)quinoline-4-carboxylic acid;2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylate;2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))
CID 59551814
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
9-(4-Acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone
CID 158769882
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium
CID 162020109
2-[2-(2,4-Dimethoxyphenyl)pyrrolidin-1-yl]-4-[3-(1-methylindol-3-yl)propyl]pyrimidine-5-carboxylic acid
CID 110077533
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-[3-(1-methylindol-3-yl)propyl]pyrimidine-5-carboxylic acid
CID 124972198
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-[3-(1-methylindol-3-yl)propyl]pyrimidine-5-carboxylic acid
CID 124972199

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;ruthenium?
The IUPAC name of 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;ruthenium (CID 161315830) is 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;ruthenium.
What is the SMILES notation for 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;ruthenium?
The canonical SMILES for 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;ruthenium is COc1ccc(/C=C/c2ccncn2)c(OC)c1.O=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.[Ru].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;ruthenium?
The InChIKey is VJMCQEHESKZSOJ-SXMYUENQSA-N. The full InChI is InChI=1S/C20H12N2O4.C15H11N3.C14H14N2O2.Ru/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;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-17-13-6-4-11(14(9-13)18-2)3-5-12-7-8-15-10-16-12;/h1-10H,(H,23,24)(H,25,26);1-11H;3-10H,1-2H3;/b;;5-3+;.
What are the key properties of 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;ruthenium?
2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;ruthenium has a molecular weight of 920.95 g/mol, XLogP of 9.71, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;ruthenium is sourced from PubChem (CID 161315830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).