6,8-dinitroquinoline

C9H5N3O4 — CID 11106850

IUPAC6,8-dinitroquinoline
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2ncccc2c1
InChIInChI=1S/C9H5N3O4/c13-11(14)7-4-6-2-1-3-10-9(6)8(5-7)12(15)16/h1-5H
InChIKeyBGFSMXPMBZGPQL-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.05
Rot. Bonds2

About 6,8-dinitroquinoline

6,8-dinitroquinoline (PubChem CID 11106850) has the molecular formula C9H5N3O4 and a molecular weight of 219.16 g/mol. Its IUPAC name is 6,8-dinitroquinoline.

Molecular Properties

Compound Name6,8-dinitroquinoline
PubChem CID11106850
Molecular FormulaC9H5N3O4
Molecular Weight219.16 g/mol
Exact Mass219.03
IUPAC Name6,8-dinitroquinoline
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2ncccc2c1
InChIInChI=1S/C9H5N3O4/c13-11(14)7-4-6-2-1-3-10-9(6)8(5-7)12(15)16/h1-5H
InChIKeyBGFSMXPMBZGPQL-UHFFFAOYSA-N
XLogP2.05
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(8-nitroquinolin-6-yl)ethanone
CID 166162234
8-(2,4-dinitrophenoxy)quinoline
CID 1422298
8-bromo-6-nitroquinoline;6-nitroquinoline
CID 159832810
dichloropalladium;5-nitro-1,10-phenanthroline
CID 5030888
7-nitroquinolin-8-amine
CID 12663942
9-nitrobenzo[h]quinoline-6,7-dicarboxylic acid
CID 139707018
1,3-dinitrophenazine
CID 78388402
1,7-phenanthrolin-8-amine;2,4,6-trinitrophenol
CID 23723893
CID 159294734
CID 159294734
quinolin-8-yl 2,5-dinitrobenzoate
CID 3124826
lead(2+);bis(1,10-phenanthroline);dinitrate
CID 139206065
N-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide
CID 58174439

Frequently Asked Questions

What is the IUPAC name of 6,8-dinitroquinoline?
The IUPAC name of 6,8-dinitroquinoline (CID 11106850) is 6,8-dinitroquinoline.
What is the SMILES notation for 6,8-dinitroquinoline?
The canonical SMILES for 6,8-dinitroquinoline is O=[N+]([O-])c1cc([N+](=O)[O-])c2ncccc2c1.
What is the InChIKey of 6,8-dinitroquinoline?
The InChIKey is BGFSMXPMBZGPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O4/c13-11(14)7-4-6-2-1-3-10-9(6)8(5-7)12(15)16/h1-5H.
What are the key properties of 6,8-dinitroquinoline?
6,8-dinitroquinoline has a molecular weight of 219.16 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dinitroquinoline is sourced from PubChem (CID 11106850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).