tetrakis(10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide);bis(palladium)

C128H124F4N24O16Pd2 — CID 139189279

IUPACtetrakis(10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide);bis(palladium)
SMILESCC(C)COc1cc(C(=O)Nc2cccnc2)nc2c(F)c3nc(C(=O)Nc4cccnc4)cc(OCC(C)C)c3cc12.CC(C)COc1cc(C(=O)Nc2cccnc2)nc2c(F)c3nc(C(=O)Nc4cccnc4)cc(OCC(C)C)c3cc12.CC(C)COc1cc(C(=O)Nc2cccnc2)nc2c(F)c3nc(C(=O)Nc4cccnc4)cc(OCC(C)C)c3cc12.CC(C)COc1cc(C(=O)Nc2cccnc2)nc2c(F)c3nc(C(=O)Nc4cccnc4)cc(OCC(C)C)c3cc12.[Pd].[Pd]
InChIInChI=1S/4C32H31FN6O4.2Pd/c4*1-18(2)16-42-26-12-24(31(40)36-20-7-5-9-34-14-20)38-29-22(26)11-23-27(43-17-19(3)4)13-25(39-30(23)28(29)33)32(41)37-21-8-6-10-35-15-21;;/h4*5-15,18-19H,16-17H2,1-4H3,(H,36,40)(H,37,41);;
InChIKeyCERXBTMFJWQMFC-UHFFFAOYSA-N
MW2543.38 g/mol
LogP25.14
Rot. Bonds40

About tetrakis(10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide);bis(palladium)

tetrakis(10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide);bis(palladium) (PubChem CID 139189279) has the molecular formula C128H124F4N24O16Pd2 and a molecular weight of 2543.38 g/mol. Its IUPAC name is tetrakis(10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide);bis(palladium).

Molecular Properties

Compound Nametetrakis(10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide);bis(palladium)
PubChem CID139189279
Molecular FormulaC128H124F4N24O16Pd2
Molecular Weight2543.38 g/mol
Exact Mass2540.76
IUPAC Nametetrakis(10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide);bis(palladium)
SMILESCC(C)COc1cc(C(=O)Nc2cccnc2)nc2c(F)c3nc(C(=O)Nc4cccnc4)cc(OCC(C)C)c3cc12.CC(C)COc1cc(C(=O)Nc2cccnc2)nc2c(F)c3nc(C(=O)Nc4cccnc4)cc(OCC(C)C)c3cc12.CC(C)COc1cc(C(=O)Nc2cccnc2)nc2c(F)c3nc(C(=O)Nc4cccnc4)cc(OCC(C)C)c3cc12.CC(C)COc1cc(C(=O)Nc2cccnc2)nc2c(F)c3nc(C(=O)Nc4cccnc4)cc(OCC(C)C)c3cc12.[Pd].[Pd]
InChIInChI=1S/4C32H31FN6O4.2Pd/c4*1-18(2)16-42-26-12-24(31(40)36-20-7-5-9-34-14-20)38-29-22(26)11-23-27(43-17-19(3)4)13-25(39-30(23)28(29)33)32(41)37-21-8-6-10-35-15-21;;/h4*5-15,18-19H,16-17H2,1-4H3,(H,36,40)(H,37,41);;
InChIKeyCERXBTMFJWQMFC-UHFFFAOYSA-N
XLogP25.14
TPSA512.88 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds40
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002543.38
LogP ≤ 525.14
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze tetrakis(10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide);bis(palladium) with MolForge

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Related Compounds

10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide
CID 139189280
2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide
CID 155927483
2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide
CID 144765692
2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane
CID 142362008
8-benzamido-4-(2-methylpropoxy)-N-[(2,3,4,5,6-pentafluorophenyl)methyl]quinoline-2-carboxamide
CID 71740253
3-fluoro-4-methoxy-N-pyridin-3-ylbenzamide
CID 25343484
methyl 8-[[8-[[8-[[8-[[8-[[8-[[8-[[8-amino-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate
CID 177484902
5-propan-2-yl-N-pyridin-3-ylthiophene-3-carboxamide
CID 25237024
7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide
CID 110485373
1-(2-methylpropoxy)propan-2-yl N-pyridin-3-ylcarbamate
CID 145443911
4-chloro-N-pyridin-3-ylquinoline-2-carboxamide
CID 63376160
5-fluoro-2-methoxy-N-pyridin-3-ylbenzamide
CID 34947016

Frequently Asked Questions

What is the IUPAC name of tetrakis(10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide);bis(palladium)?
The IUPAC name of tetrakis(10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide);bis(palladium) (CID 139189279) is tetrakis(10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide);bis(palladium).
What is the SMILES notation for tetrakis(10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide);bis(palladium)?
The canonical SMILES for tetrakis(10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide);bis(palladium) is CC(C)COc1cc(C(=O)Nc2cccnc2)nc2c(F)c3nc(C(=O)Nc4cccnc4)cc(OCC(C)C)c3cc12.CC(C)COc1cc(C(=O)Nc2cccnc2)nc2c(F)c3nc(C(=O)Nc4cccnc4)cc(OCC(C)C)c3cc12.CC(C)COc1cc(C(=O)Nc2cccnc2)nc2c(F)c3nc(C(=O)Nc4cccnc4)cc(OCC(C)C)c3cc12.CC(C)COc1cc(C(=O)Nc2cccnc2)nc2c(F)c3nc(C(=O)Nc4cccnc4)cc(OCC(C)C)c3cc12.[Pd].[Pd].
What is the InChIKey of tetrakis(10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide);bis(palladium)?
The InChIKey is CERXBTMFJWQMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C32H31FN6O4.2Pd/c4*1-18(2)16-42-26-12-24(31(40)36-20-7-5-9-34-14-20)38-29-22(26)11-23-27(43-17-19(3)4)13-25(39-30(23)28(29)33)32(41)37-21-8-6-10-35-15-21;;/h4*5-15,18-19H,16-17H2,1-4H3,(H,36,40)(H,37,41);;.
What are the key properties of tetrakis(10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide);bis(palladium)?
tetrakis(10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide);bis(palladium) has a molecular weight of 2543.38 g/mol, XLogP of 25.14, 40 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide);bis(palladium) is sourced from PubChem (CID 139189279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).