5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

C20H12N2O2 — CID 13976

IUPAC5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
SMILESO=c1c2ccccc2[nH]c2cc3c(=O)c4ccccc4[nH]c3cc12
InChIInChI=1S/C20H12N2O2/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/h1-10H,(H,21,23)(H,22,24)
InChIKeyNRCMAYZCPIVABH-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.68
Rot. Bonds

About 5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

5,12-dihydroquinolino[2,3-b]acridine-7,14-dione (PubChem CID 13976) has the molecular formula C20H12N2O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5,12-dihydroquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
PubChem CID13976
Molecular FormulaC20H12N2O2
Molecular Weight312.33 g/mol
Exact Mass312.09
IUPAC Name5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
SMILESO=c1c2ccccc2[nH]c2cc3c(=O)c4ccccc4[nH]c3cc12
InChIInChI=1S/C20H12N2O2/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/h1-10H,(H,21,23)(H,22,24)
InChIKeyNRCMAYZCPIVABH-UHFFFAOYSA-N
XLogP3.68
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 5,12-dihydroquinolino[2,3-b]acridine-7,14-dione (CID 13976) is 5,12-dihydroquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 5,12-dihydroquinolino[2,3-b]acridine-7,14-dione is O=c1c2ccccc2[nH]c2cc3c(=O)c4ccccc4[nH]c3cc12.
What is the InChIKey of 5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is NRCMAYZCPIVABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O2/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/h1-10H,(H,21,23)(H,22,24).
What are the key properties of 5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 312.33 g/mol, XLogP of 3.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-dihydroquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 13976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).