7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid

C21H12N2O4 — CID 18344486

IUPAC7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
SMILESO=C(O)c1ccc2c(=O)c3cc4[nH]c5ccccc5c(=O)c4cc3[nH]c2c1
InChIInChI=1S/C21H12N2O4/c24-19-11-3-1-2-4-15(11)22-17-8-14-18(9-13(17)19)23-16-7-10(21(26)27)5-6-12(16)20(14)25/h1-9H,(H,22,24)(H,23,25)(H,26,27)
InChIKeyPWXOIVAZQAOTMD-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.37
Rot. Bonds1

About 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid

7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid (PubChem CID 18344486) has the molecular formula C21H12N2O4 and a molecular weight of 356.34 g/mol. Its IUPAC name is 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid.

Molecular Properties

Compound Name7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
PubChem CID18344486
Molecular FormulaC21H12N2O4
Molecular Weight356.34 g/mol
Exact Mass356.08
IUPAC Name7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
SMILESO=C(O)c1ccc2c(=O)c3cc4[nH]c5ccccc5c(=O)c4cc3[nH]c2c1
InChIInChI=1S/C21H12N2O4/c24-19-11-3-1-2-4-15(11)22-17-8-14-18(9-13(17)19)23-16-7-10(21(26)27)5-6-12(16)20(14)25/h1-9H,(H,22,24)(H,23,25)(H,26,27)
InChIKeyPWXOIVAZQAOTMD-UHFFFAOYSA-N
XLogP3.37
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
9-oxo-N-sulfanyl-10H-acridine-3-carboxamide
CID 142264856
10H-acridin-9-one
CID 22753806
benzoic acid;9H-carbazole
CID 162147282
7-fluoro-9-oxo-10H-acridine-2-carboxylic acid
CID 75478956
10-oxo-5H-benzo[b][1,6]naphthyridine-3-carboxylic acid
CID 20811575
N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)-9-oxo-10H-acridine-3-carboxamide
CID 59019210
N-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide
CID 142264774
10H-acridin-9-one;ethane
CID 91525380
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide
CID 139905975
9H-carbazole;carbonic acid
CID 67577328
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane;methanesulfonate;methylsulfonylmethane;yttrium
CID 160914916

Frequently Asked Questions

What is the IUPAC name of 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid?
The IUPAC name of 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid (CID 18344486) is 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid.
What is the SMILES notation for 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid?
The canonical SMILES for 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid is O=C(O)c1ccc2c(=O)c3cc4[nH]c5ccccc5c(=O)c4cc3[nH]c2c1.
What is the InChIKey of 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid?
The InChIKey is PWXOIVAZQAOTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2O4/c24-19-11-3-1-2-4-15(11)22-17-8-14-18(9-13(17)19)23-16-7-10(21(26)27)5-6-12(16)20(14)25/h1-9H,(H,22,24)(H,23,25)(H,26,27).
What are the key properties of 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid?
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid has a molecular weight of 356.34 g/mol, XLogP of 3.37, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid is sourced from PubChem (CID 18344486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).