10,11,12,13,13a,14-hexahydroquinoxalino[2,3-f][1,10]phenanthroline;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium

C60H55N15O4Ru — CID 59008874

IUPAC10,11,12,13,13a,14-hexahydroquinoxalino[2,3-f][1,10]phenanthroline;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCOc1cc2cccnc2c2ncccc12.[Ru].c1cnc2c(c1)c1c(c3cccnc32)NC2CCCCC2=N1
InChIInChI=1S/C30H27N9O4.C18H16N4.C12H12N2.Ru/c1-37-11-10-33-27(37)30(42)36-20-14-23(39(3)16-20)29(41)35-19-13-22(38(2)15-19)28(40)34-17-43-24-12-18-6-4-8-31-25(18)26-21(24)7-5-9-32-26;1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h4-16H,17H2,1-3H3,(H,34,40)(H,35,41)(H,36,42);3-6,9-10,13,21H,1-2,7-8H2;3-8H,1-2H3;
InChIKeyBXJOPQNRWIJBIN-UHFFFAOYSA-N
MW1151.27 g/mol
LogP10.45
Rot. Bonds9

About 10,11,12,13,13a,14-hexahydroquinoxalino[2,3-f][1,10]phenanthroline;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium

10,11,12,13,13a,14-hexahydroquinoxalino[2,3-f][1,10]phenanthroline;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium (PubChem CID 59008874) has the molecular formula C60H55N15O4Ru and a molecular weight of 1151.27 g/mol. Its IUPAC name is 10,11,12,13,13a,14-hexahydroquinoxalino[2,3-f][1,10]phenanthroline;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium.

Molecular Properties

Compound Name10,11,12,13,13a,14-hexahydroquinoxalino[2,3-f][1,10]phenanthroline;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium
PubChem CID59008874
Molecular FormulaC60H55N15O4Ru
Molecular Weight1151.27 g/mol
Exact Mass1151.36
IUPAC Name10,11,12,13,13a,14-hexahydroquinoxalino[2,3-f][1,10]phenanthroline;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCOc1cc2cccnc2c2ncccc12.[Ru].c1cnc2c(c1)c1c(c3cccnc32)NC2CCCCC2=N1
InChIInChI=1S/C30H27N9O4.C18H16N4.C12H12N2.Ru/c1-37-11-10-33-27(37)30(42)36-20-14-23(39(3)16-20)29(41)35-19-13-22(38(2)15-19)28(40)34-17-43-24-12-18-6-4-8-31-25(18)26-21(24)7-5-9-32-26;1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h4-16H,17H2,1-3H3,(H,34,40)(H,35,41)(H,36,42);3-6,9-10,13,21H,1-2,7-8H2;3-8H,1-2H3;
InChIKeyBXJOPQNRWIJBIN-UHFFFAOYSA-N
XLogP10.45
TPSA225.94 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001151.27
LogP ≤ 510.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10,11,12,13,13a,14-hexahydroquinoxalino[2,3-f][1,10]phenanthroline;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium with MolForge

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Related Compounds

US11299473, Example 44
CID 139581598
2-[3-[4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinazolin-2-yl]morpholin-2-yl]morpholin-4-yl]-5-[7-methoxy-9-[[2-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1,3-benzoxazole
CID 139316929
(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methylimidazo[4,5-b]pyridin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 157750123
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 159583714
1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
CID 59008866
1-methyl-N-[1-methyl-5-[[1-methyl-5-[2-(1,10-phenanthrolin-4-yloxy)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium
CID 59008873
1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium
CID 59008897
3-hydroxy-1-methyl-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]-N-[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium
CID 59008904
6-[5-[3-[2-[1-(2-amino-3-methylbutanoyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]-1-methoxy-3-pyridin-3-yl-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one
CID 123185672
10-[3-[4-(14,14-Dimethyl-21-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[4-[3-[3-[20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 154969276
bis[4-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 156761660
CID 157175921
CID 157175921

Frequently Asked Questions

What is the IUPAC name of 10,11,12,13,13a,14-hexahydroquinoxalino[2,3-f][1,10]phenanthroline;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium?
The IUPAC name of 10,11,12,13,13a,14-hexahydroquinoxalino[2,3-f][1,10]phenanthroline;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium (CID 59008874) is 10,11,12,13,13a,14-hexahydroquinoxalino[2,3-f][1,10]phenanthroline;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium.
What is the SMILES notation for 10,11,12,13,13a,14-hexahydroquinoxalino[2,3-f][1,10]phenanthroline;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium?
The canonical SMILES for 10,11,12,13,13a,14-hexahydroquinoxalino[2,3-f][1,10]phenanthroline;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium is Cc1ccnc(-c2cc(C)ccn2)c1.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCOc1cc2cccnc2c2ncccc12.[Ru].c1cnc2c(c1)c1c(c3cccnc32)NC2CCCCC2=N1.
What is the InChIKey of 10,11,12,13,13a,14-hexahydroquinoxalino[2,3-f][1,10]phenanthroline;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium?
The InChIKey is BXJOPQNRWIJBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N9O4.C18H16N4.C12H12N2.Ru/c1-37-11-10-33-27(37)30(42)36-20-14-23(39(3)16-20)29(41)35-19-13-22(38(2)15-19)28(40)34-17-43-24-12-18-6-4-8-31-25(18)26-21(24)7-5-9-32-26;1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h4-16H,17H2,1-3H3,(H,34,40)(H,35,41)(H,36,42);3-6,9-10,13,21H,1-2,7-8H2;3-8H,1-2H3;.
What are the key properties of 10,11,12,13,13a,14-hexahydroquinoxalino[2,3-f][1,10]phenanthroline;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium?
10,11,12,13,13a,14-hexahydroquinoxalino[2,3-f][1,10]phenanthroline;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium has a molecular weight of 1151.27 g/mol, XLogP of 10.45, 9 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11,12,13,13a,14-hexahydroquinoxalino[2,3-f][1,10]phenanthroline;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium is sourced from PubChem (CID 59008874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).