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

C21H13NO2 — CID 59787127

IUPAC5,12-dihydronaphtho[3,2-b]acridine-7,14-dione
SMILESO=C1c2ccccc2Cc2cc3c(=O)c4ccccc4[nH]c3cc21
InChIInChI=1S/C21H13NO2/c23-20-14-6-2-1-5-12(14)9-13-10-17-19(11-16(13)20)22-18-8-4-3-7-15(18)21(17)24/h1-8,10-11H,9H2,(H,22,24)
InChIKeyFNUMRINBOPFNSB-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.82
Rot. Bonds

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

5,12-dihydronaphtho[3,2-b]acridine-7,14-dione (PubChem CID 59787127) has the molecular formula C21H13NO2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5,12-dihydronaphtho[3,2-b]acridine-7,14-dione.

Molecular Properties

Compound Name5,12-dihydronaphtho[3,2-b]acridine-7,14-dione
PubChem CID59787127
Molecular FormulaC21H13NO2
Molecular Weight311.34 g/mol
Exact Mass311.09
IUPAC Name5,12-dihydronaphtho[3,2-b]acridine-7,14-dione
SMILESO=C1c2ccccc2Cc2cc3c(=O)c4ccccc4[nH]c3cc21
InChIInChI=1S/C21H13NO2/c23-20-14-6-2-1-5-12(14)9-13-10-17-19(11-16(13)20)22-18-8-4-3-7-15(18)21(17)24/h1-8,10-11H,9H2,(H,22,24)
InChIKeyFNUMRINBOPFNSB-UHFFFAOYSA-N
XLogP3.82
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
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-dihydronaphtho[3,2-b]acridine-7,14-dione?
The IUPAC name of 5,12-dihydronaphtho[3,2-b]acridine-7,14-dione (CID 59787127) is 5,12-dihydronaphtho[3,2-b]acridine-7,14-dione.
What is the SMILES notation for 5,12-dihydronaphtho[3,2-b]acridine-7,14-dione?
The canonical SMILES for 5,12-dihydronaphtho[3,2-b]acridine-7,14-dione is O=C1c2ccccc2Cc2cc3c(=O)c4ccccc4[nH]c3cc21.
What is the InChIKey of 5,12-dihydronaphtho[3,2-b]acridine-7,14-dione?
The InChIKey is FNUMRINBOPFNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO2/c23-20-14-6-2-1-5-12(14)9-13-10-17-19(11-16(13)20)22-18-8-4-3-7-15(18)21(17)24/h1-8,10-11H,9H2,(H,22,24).
What are the key properties of 5,12-dihydronaphtho[3,2-b]acridine-7,14-dione?
5,12-dihydronaphtho[3,2-b]acridine-7,14-dione has a molecular weight of 311.34 g/mol, XLogP of 3.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-dihydronaphtho[3,2-b]acridine-7,14-dione is sourced from PubChem (CID 59787127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).