dipotassium;10-methyl-1-oxoacridine-2,7-dicarboxylate

C16H9K2NO5 — CID 70564360

IUPACdipotassium;10-methyl-1-oxoacridine-2,7-dicarboxylate
SMILESCn1c2ccc(C(=O)[O-])c(=O)c-2cc2cc(C(=O)[O-])ccc21.[K+].[K+]
InChIInChI=1S/C16H11NO5.2K/c1-17-12-4-2-8(15(19)20)6-9(12)7-11-13(17)5-3-10(14(11)18)16(21)22;;/h2-7H,1H3,(H,19,20)(H,21,22);;/q;2*+1/p-2
InChIKeyDIXMDHLNRKNOBH-UHFFFAOYSA-L
MW373.45 g/mol
LogP-6.62
Rot. Bonds2

About dipotassium;10-methyl-1-oxoacridine-2,7-dicarboxylate

dipotassium;10-methyl-1-oxoacridine-2,7-dicarboxylate (PubChem CID 70564360) has the molecular formula C16H9K2NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is dipotassium;10-methyl-1-oxoacridine-2,7-dicarboxylate.

Molecular Properties

Compound Namedipotassium;10-methyl-1-oxoacridine-2,7-dicarboxylate
PubChem CID70564360
Molecular FormulaC16H9K2NO5
Molecular Weight373.45 g/mol
Exact Mass372.98
IUPAC Namedipotassium;10-methyl-1-oxoacridine-2,7-dicarboxylate
SMILESCn1c2ccc(C(=O)[O-])c(=O)c-2cc2cc(C(=O)[O-])ccc21.[K+].[K+]
InChIInChI=1S/C16H11NO5.2K/c1-17-12-4-2-8(15(19)20)6-9(12)7-11-13(17)5-3-10(14(11)18)16(21)22;;/h2-7H,1H3,(H,19,20)(H,21,22);;/q;2*+1/p-2
InChIKeyDIXMDHLNRKNOBH-UHFFFAOYSA-L
XLogP-6.62
TPSA102.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 5-6.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipotassium;10-methyl-1-oxoacridine-2,7-dicarboxylate?
The IUPAC name of dipotassium;10-methyl-1-oxoacridine-2,7-dicarboxylate (CID 70564360) is dipotassium;10-methyl-1-oxoacridine-2,7-dicarboxylate.
What is the SMILES notation for dipotassium;10-methyl-1-oxoacridine-2,7-dicarboxylate?
The canonical SMILES for dipotassium;10-methyl-1-oxoacridine-2,7-dicarboxylate is Cn1c2ccc(C(=O)[O-])c(=O)c-2cc2cc(C(=O)[O-])ccc21.[K+].[K+].
What is the InChIKey of dipotassium;10-methyl-1-oxoacridine-2,7-dicarboxylate?
The InChIKey is DIXMDHLNRKNOBH-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H11NO5.2K/c1-17-12-4-2-8(15(19)20)6-9(12)7-11-13(17)5-3-10(14(11)18)16(21)22;;/h2-7H,1H3,(H,19,20)(H,21,22);;/q;2*+1/p-2.
What are the key properties of dipotassium;10-methyl-1-oxoacridine-2,7-dicarboxylate?
dipotassium;10-methyl-1-oxoacridine-2,7-dicarboxylate has a molecular weight of 373.45 g/mol, XLogP of -6.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;10-methyl-1-oxoacridine-2,7-dicarboxylate is sourced from PubChem (CID 70564360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).