methanolate;bis(4-methoxyquinoline-2-carboxylate);oxygen(2-);rhenium

C23H19N2O8Re-5 — CID 139160338

IUPACmethanolate;bis(4-methoxyquinoline-2-carboxylate);oxygen(2-);rhenium
SMILESCOc1cc(C(=O)[O-])nc2ccccc12.COc1cc(C(=O)[O-])nc2ccccc12.C[O-].[O-2].[Re]
InChIInChI=1S/2C11H9NO3.CH3O.O.Re/c2*1-15-10-6-9(11(13)14)12-8-5-3-2-4-7(8)10;1-2;;/h2*2-6H,1H3,(H,13,14);1H3;;/q;;-1;-2;/p-2
InChIKeyTXOXVIAZTZOFHJ-UHFFFAOYSA-L
MW637.62 g/mol
LogP0.07
Rot. Bonds4

About methanolate;bis(4-methoxyquinoline-2-carboxylate);oxygen(2-);rhenium

methanolate;bis(4-methoxyquinoline-2-carboxylate);oxygen(2-);rhenium (PubChem CID 139160338) has the molecular formula C23H19N2O8Re-5 and a molecular weight of 637.62 g/mol. Its IUPAC name is methanolate;bis(4-methoxyquinoline-2-carboxylate);oxygen(2-);rhenium.

Molecular Properties

Compound Namemethanolate;bis(4-methoxyquinoline-2-carboxylate);oxygen(2-);rhenium
PubChem CID139160338
Molecular FormulaC23H19N2O8Re-5
Molecular Weight637.62 g/mol
Exact Mass638.07
IUPAC Namemethanolate;bis(4-methoxyquinoline-2-carboxylate);oxygen(2-);rhenium
SMILESCOc1cc(C(=O)[O-])nc2ccccc12.COc1cc(C(=O)[O-])nc2ccccc12.C[O-].[O-2].[Re]
InChIInChI=1S/2C11H9NO3.CH3O.O.Re/c2*1-15-10-6-9(11(13)14)12-8-5-3-2-4-7(8)10;1-2;;/h2*2-6H,1H3,(H,13,14);1H3;;/q;;-1;-2;/p-2
InChIKeyTXOXVIAZTZOFHJ-UHFFFAOYSA-L
XLogP0.07
TPSA176.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.62
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-Methoxy-2-quinolinecarboxylic acid
CID 594596
[3-(4-Methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl quinoline-2-carboxylate
CID 4859649
Methyl 4-[1-(4-methoxyphenyl)ethenyl]quinoline-2-carboxylate
CID 137653631
Methyl 4-methoxyquinoline-2-carboxylate
CID 523521
Methyl 6-fluoro-4-[(4-fluorophenyl)methoxy]quinoline-2-carboxylate
CID 53010923
Methyl 4-[(2-fluorophenyl)methoxy]quinoline-2-carboxylate
CID 53112963
Methyl 4-((3-fluorobenzyl)oxy)quinoline-2-carboxylate
CID 53112964
Methyl 6-fluoro-4-[(2-fluorophenyl)methoxy]quinoline-2-carboxylate
CID 53113127
Methyl 6-fluoro-4-[(3-fluorophenyl)methoxy]quinoline-2-carboxylate
CID 53113128
Methyl 4-(benzyloxy)-6-fluoroquinoline-2-carboxylate
CID 53113139
3-Methylbut-2-enyl 4,8-dimethoxyquinoline-2-carboxylate
CID 118721183
Ethyl 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylate
CID 122196333

Frequently Asked Questions

What is the IUPAC name of methanolate;bis(4-methoxyquinoline-2-carboxylate);oxygen(2-);rhenium?
The IUPAC name of methanolate;bis(4-methoxyquinoline-2-carboxylate);oxygen(2-);rhenium (CID 139160338) is methanolate;bis(4-methoxyquinoline-2-carboxylate);oxygen(2-);rhenium.
What is the SMILES notation for methanolate;bis(4-methoxyquinoline-2-carboxylate);oxygen(2-);rhenium?
The canonical SMILES for methanolate;bis(4-methoxyquinoline-2-carboxylate);oxygen(2-);rhenium is COc1cc(C(=O)[O-])nc2ccccc12.COc1cc(C(=O)[O-])nc2ccccc12.C[O-].[O-2].[Re].
What is the InChIKey of methanolate;bis(4-methoxyquinoline-2-carboxylate);oxygen(2-);rhenium?
The InChIKey is TXOXVIAZTZOFHJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H9NO3.CH3O.O.Re/c2*1-15-10-6-9(11(13)14)12-8-5-3-2-4-7(8)10;1-2;;/h2*2-6H,1H3,(H,13,14);1H3;;/q;;-1;-2;/p-2.
What are the key properties of methanolate;bis(4-methoxyquinoline-2-carboxylate);oxygen(2-);rhenium?
methanolate;bis(4-methoxyquinoline-2-carboxylate);oxygen(2-);rhenium has a molecular weight of 637.62 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methanolate;bis(4-methoxyquinoline-2-carboxylate);oxygen(2-);rhenium is sourced from PubChem (CID 139160338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).