10,12-dihydro-5H-quinolino[2,3-b]acridine-7,9,14-trione

C20H12N2O3 — CID 154309205

IUPAC10,12-dihydro-5H-quinolino[2,3-b]acridine-7,9,14-trione
SMILESO=C1C=c2c([nH]c3cc4c(=O)c5ccccc5[nH]c4cc3c2=O)=CC1
InChIInChI=1S/C20H12N2O3/c23-10-5-6-16-12(7-10)20(25)14-9-17-13(8-18(14)22-16)19(24)11-3-1-2-4-15(11)21-17/h1-4,6-9,22H,5H2,(H,21,24)
InChIKeyCOFNRAOIOQCZQB-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.06
Rot. Bonds

About 10,12-dihydro-5H-quinolino[2,3-b]acridine-7,9,14-trione

10,12-dihydro-5H-quinolino[2,3-b]acridine-7,9,14-trione (PubChem CID 154309205) has the molecular formula C20H12N2O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 10,12-dihydro-5H-quinolino[2,3-b]acridine-7,9,14-trione.

Molecular Properties

Compound Name10,12-dihydro-5H-quinolino[2,3-b]acridine-7,9,14-trione
PubChem CID154309205
Molecular FormulaC20H12N2O3
Molecular Weight328.33 g/mol
Exact Mass328.08
IUPAC Name10,12-dihydro-5H-quinolino[2,3-b]acridine-7,9,14-trione
SMILESO=C1C=c2c([nH]c3cc4c(=O)c5ccccc5[nH]c4cc3c2=O)=CC1
InChIInChI=1S/C20H12N2O3/c23-10-5-6-16-12(7-10)20(25)14-9-17-13(8-18(14)22-16)19(24)11-3-1-2-4-15(11)21-17/h1-4,6-9,22H,5H2,(H,21,24)
InChIKeyCOFNRAOIOQCZQB-UHFFFAOYSA-N
XLogP1.06
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
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
10H-acridin-9-one
CID 22753806
10H-acridin-9-one;ethane
CID 91525380
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
CID 18344486
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane;methanesulfonate;methylsulfonylmethane;yttrium
CID 160914916
12H-thiochromeno[2,3-b]acridine-7,14-dione
CID 67634698
4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 162179481
5,12-dihydronaphtho[3,2-b]acridine-7,14-dione
CID 59787127
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
(23E)-11-azapentacyclo[12.10.0.03,12.05,10.016,21]tetracosa-1,3(12),5,7,9,13,16,18,20,23-decaene-4,15-dione
CID 89328403
3-but-3-enyl-2-methyl-1,6-dihydropyrido[2,3-b]acridine-4,11-dione
CID 89302916
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide
CID 139905975

Frequently Asked Questions

What is the IUPAC name of 10,12-dihydro-5H-quinolino[2,3-b]acridine-7,9,14-trione?
The IUPAC name of 10,12-dihydro-5H-quinolino[2,3-b]acridine-7,9,14-trione (CID 154309205) is 10,12-dihydro-5H-quinolino[2,3-b]acridine-7,9,14-trione.
What is the SMILES notation for 10,12-dihydro-5H-quinolino[2,3-b]acridine-7,9,14-trione?
The canonical SMILES for 10,12-dihydro-5H-quinolino[2,3-b]acridine-7,9,14-trione is O=C1C=c2c([nH]c3cc4c(=O)c5ccccc5[nH]c4cc3c2=O)=CC1.
What is the InChIKey of 10,12-dihydro-5H-quinolino[2,3-b]acridine-7,9,14-trione?
The InChIKey is COFNRAOIOQCZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O3/c23-10-5-6-16-12(7-10)20(25)14-9-17-13(8-18(14)22-16)19(24)11-3-1-2-4-15(11)21-17/h1-4,6-9,22H,5H2,(H,21,24).
What are the key properties of 10,12-dihydro-5H-quinolino[2,3-b]acridine-7,9,14-trione?
10,12-dihydro-5H-quinolino[2,3-b]acridine-7,9,14-trione has a molecular weight of 328.33 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,12-dihydro-5H-quinolino[2,3-b]acridine-7,9,14-trione is sourced from PubChem (CID 154309205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).