5,6-dihydronaphtho[1,2-b]quinoline-8,11-dione

C17H11NO2 — CID 10422753

IUPAC5,6-dihydronaphtho[1,2-b]quinoline-8,11-dione
SMILESO=C1C=CC(=O)c2nc3c(cc21)CCc1ccccc1-3
InChIInChI=1S/C17H11NO2/c19-14-7-8-15(20)17-13(14)9-11-6-5-10-3-1-2-4-12(10)16(11)18-17/h1-4,7-9H,5-6H2
InChIKeyJIOCAQTWGNLFHH-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.78
Rot. Bonds

About 5,6-dihydronaphtho[1,2-b]quinoline-8,11-dione

5,6-dihydronaphtho[1,2-b]quinoline-8,11-dione (PubChem CID 10422753) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5,6-dihydronaphtho[1,2-b]quinoline-8,11-dione.

Molecular Properties

Compound Name5,6-dihydronaphtho[1,2-b]quinoline-8,11-dione
PubChem CID10422753
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name5,6-dihydronaphtho[1,2-b]quinoline-8,11-dione
SMILESO=C1C=CC(=O)c2nc3c(cc21)CCc1ccccc1-3
InChIInChI=1S/C17H11NO2/c19-14-7-8-15(20)17-13(14)9-11-6-5-10-3-1-2-4-12(10)16(11)18-17/h1-4,7-9H,5-6H2
InChIKeyJIOCAQTWGNLFHH-UHFFFAOYSA-N
XLogP2.78
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydronaphtho[1,2-b]quinoline-8,11-dione?
The IUPAC name of 5,6-dihydronaphtho[1,2-b]quinoline-8,11-dione (CID 10422753) is 5,6-dihydronaphtho[1,2-b]quinoline-8,11-dione.
What is the SMILES notation for 5,6-dihydronaphtho[1,2-b]quinoline-8,11-dione?
The canonical SMILES for 5,6-dihydronaphtho[1,2-b]quinoline-8,11-dione is O=C1C=CC(=O)c2nc3c(cc21)CCc1ccccc1-3.
What is the InChIKey of 5,6-dihydronaphtho[1,2-b]quinoline-8,11-dione?
The InChIKey is JIOCAQTWGNLFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2/c19-14-7-8-15(20)17-13(14)9-11-6-5-10-3-1-2-4-12(10)16(11)18-17/h1-4,7-9H,5-6H2.
What are the key properties of 5,6-dihydronaphtho[1,2-b]quinoline-8,11-dione?
5,6-dihydronaphtho[1,2-b]quinoline-8,11-dione has a molecular weight of 261.28 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydronaphtho[1,2-b]quinoline-8,11-dione is sourced from PubChem (CID 10422753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).