1-oxo-2H-acridine-2,6-dicarboxylic acid

C15H9NO5 — CID 70563877

IUPAC1-oxo-2H-acridine-2,6-dicarboxylic acid
SMILESO=C(O)c1ccc2cc3c(nc2c1)C=CC(C(=O)O)C3=O
InChIInChI=1S/C15H9NO5/c17-13-9(15(20)21)3-4-11-10(13)5-7-1-2-8(14(18)19)6-12(7)16-11/h1-6,9H,(H,18,19)(H,20,21)
InChIKeyYPKONFHOFCFQII-UHFFFAOYSA-N
MW283.24 g/mol
LogP1.84
Rot. Bonds2

About 1-oxo-2H-acridine-2,6-dicarboxylic acid

1-oxo-2H-acridine-2,6-dicarboxylic acid (PubChem CID 70563877) has the molecular formula C15H9NO5 and a molecular weight of 283.24 g/mol. Its IUPAC name is 1-oxo-2H-acridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name1-oxo-2H-acridine-2,6-dicarboxylic acid
PubChem CID70563877
Molecular FormulaC15H9NO5
Molecular Weight283.24 g/mol
Exact Mass283.05
IUPAC Name1-oxo-2H-acridine-2,6-dicarboxylic acid
SMILESO=C(O)c1ccc2cc3c(nc2c1)C=CC(C(=O)O)C3=O
InChIInChI=1S/C15H9NO5/c17-13-9(15(20)21)3-4-11-10(13)5-7-1-2-8(14(18)19)6-12(7)16-11/h1-6,9H,(H,18,19)(H,20,21)
InChIKeyYPKONFHOFCFQII-UHFFFAOYSA-N
XLogP1.84
TPSA104.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

6-chloro-1-oxo-2H-acridine-2-carboxylic acid
CID 70563749
4-oxo-3H-quinoline-3,6-dicarboxylic acid
CID 75682864
2-amino-3-(2-fluorophenyl)quinoline-7-carboxylic acid
CID 122688052
cyclohexane-1,4-dicarboxylic acid;naphthalene-2,6-dicarboxylic acid;dihydrochloride
CID 70542145
2-cyclopropylquinoline-6-carboxylic acid;hydrochloride
CID 86664097
2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid
CID 83842368
2,3-dimethoxyquinoline-7-carboxylic acid
CID 67754459
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),5,7,10,12,14(19),15,17,20,22,24(29),25,27-pentadecaene-6,16,26-tricarboxylic acid;hexakis(yttrium)
CID 91866629
cinnoline-7-carboxylic acid
CID 115014244

Frequently Asked Questions

What is the IUPAC name of 1-oxo-2H-acridine-2,6-dicarboxylic acid?
The IUPAC name of 1-oxo-2H-acridine-2,6-dicarboxylic acid (CID 70563877) is 1-oxo-2H-acridine-2,6-dicarboxylic acid.
What is the SMILES notation for 1-oxo-2H-acridine-2,6-dicarboxylic acid?
The canonical SMILES for 1-oxo-2H-acridine-2,6-dicarboxylic acid is O=C(O)c1ccc2cc3c(nc2c1)C=CC(C(=O)O)C3=O.
What is the InChIKey of 1-oxo-2H-acridine-2,6-dicarboxylic acid?
The InChIKey is YPKONFHOFCFQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO5/c17-13-9(15(20)21)3-4-11-10(13)5-7-1-2-8(14(18)19)6-12(7)16-11/h1-6,9H,(H,18,19)(H,20,21).
What are the key properties of 1-oxo-2H-acridine-2,6-dicarboxylic acid?
1-oxo-2H-acridine-2,6-dicarboxylic acid has a molecular weight of 283.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-2H-acridine-2,6-dicarboxylic acid is sourced from PubChem (CID 70563877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).