8,9-dichloro-3,6-dihydrobenzo[c][2,7]naphthyridine-4,5-dione

C12H6Cl2N2O2 — CID 21474063

IUPAC8,9-dichloro-3,6-dihydrobenzo[c][2,7]naphthyridine-4,5-dione
SMILESO=c1[nH]ccc2c1c(=O)[nH]c1cc(Cl)c(Cl)cc12
InChIInChI=1S/C12H6Cl2N2O2/c13-7-3-6-5-1-2-15-11(17)10(5)12(18)16-9(6)4-8(7)14/h1-4H,(H,15,17)(H,16,18)
InChIKeyWXVVRVRYXXSWHX-UHFFFAOYSA-N
MW281.10 g/mol
LogP2.68
Rot. Bonds

About 8,9-dichloro-3,6-dihydrobenzo[c][2,7]naphthyridine-4,5-dione

8,9-dichloro-3,6-dihydrobenzo[c][2,7]naphthyridine-4,5-dione (PubChem CID 21474063) has the molecular formula C12H6Cl2N2O2 and a molecular weight of 281.10 g/mol. Its IUPAC name is 8,9-dichloro-3,6-dihydrobenzo[c][2,7]naphthyridine-4,5-dione.

Molecular Properties

Compound Name8,9-dichloro-3,6-dihydrobenzo[c][2,7]naphthyridine-4,5-dione
PubChem CID21474063
Molecular FormulaC12H6Cl2N2O2
Molecular Weight281.10 g/mol
Exact Mass279.98
IUPAC Name8,9-dichloro-3,6-dihydrobenzo[c][2,7]naphthyridine-4,5-dione
SMILESO=c1[nH]ccc2c1c(=O)[nH]c1cc(Cl)c(Cl)cc12
InChIInChI=1S/C12H6Cl2N2O2/c13-7-3-6-5-1-2-15-11(17)10(5)12(18)16-9(6)4-8(7)14/h1-4H,(H,15,17)(H,16,18)
InChIKeyWXVVRVRYXXSWHX-UHFFFAOYSA-N
XLogP2.68
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,9-dichloro-3,6-dihydrobenzo[c][2,7]naphthyridine-4,5-dione?
The IUPAC name of 8,9-dichloro-3,6-dihydrobenzo[c][2,7]naphthyridine-4,5-dione (CID 21474063) is 8,9-dichloro-3,6-dihydrobenzo[c][2,7]naphthyridine-4,5-dione.
What is the SMILES notation for 8,9-dichloro-3,6-dihydrobenzo[c][2,7]naphthyridine-4,5-dione?
The canonical SMILES for 8,9-dichloro-3,6-dihydrobenzo[c][2,7]naphthyridine-4,5-dione is O=c1[nH]ccc2c1c(=O)[nH]c1cc(Cl)c(Cl)cc12.
What is the InChIKey of 8,9-dichloro-3,6-dihydrobenzo[c][2,7]naphthyridine-4,5-dione?
The InChIKey is WXVVRVRYXXSWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O2/c13-7-3-6-5-1-2-15-11(17)10(5)12(18)16-9(6)4-8(7)14/h1-4H,(H,15,17)(H,16,18).
What are the key properties of 8,9-dichloro-3,6-dihydrobenzo[c][2,7]naphthyridine-4,5-dione?
8,9-dichloro-3,6-dihydrobenzo[c][2,7]naphthyridine-4,5-dione has a molecular weight of 281.10 g/mol, XLogP of 2.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dichloro-3,6-dihydrobenzo[c][2,7]naphthyridine-4,5-dione is sourced from PubChem (CID 21474063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).