5,6a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione

C20H14N2O2 — CID 59005079

IUPAC5,6a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione
SMILESO=C1c2ccccc2NC2C=c3c([nH]c4ccccc4c3=O)=CC12
InChIInChI=1S/C20H14N2O2/c23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24/h1-10,13,17,21-22H
InChIKeyLIRNMPRXSZBIFS-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.40
Rot. Bonds

About 5,6a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione

5,6a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione (PubChem CID 59005079) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 5,6a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name5,6a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione
PubChem CID59005079
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name5,6a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione
SMILESO=C1c2ccccc2NC2C=c3c([nH]c4ccccc4c3=O)=CC12
InChIInChI=1S/C20H14N2O2/c23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24/h1-10,13,17,21-22H
InChIKeyLIRNMPRXSZBIFS-UHFFFAOYSA-N
XLogP1.40
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 5,6a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione (CID 59005079) is 5,6a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 5,6a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 5,6a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione is O=C1c2ccccc2NC2C=c3c([nH]c4ccccc4c3=O)=CC12.
What is the InChIKey of 5,6a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is LIRNMPRXSZBIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24/h1-10,13,17,21-22H.
What are the key properties of 5,6a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione?
5,6a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 314.34 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 59005079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).