5,6-dinitroquinoline

C9H5N3O4 — CID 119087514

IUPAC5,6-dinitroquinoline
SMILESO=[N+]([O-])c1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C9H5N3O4/c13-11(14)8-4-3-7-6(2-1-5-10-7)9(8)12(15)16/h1-5H
InChIKeyFNQIBXLNWXOXHD-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.05
Rot. Bonds2

About 5,6-dinitroquinoline

5,6-dinitroquinoline (PubChem CID 119087514) has the molecular formula C9H5N3O4 and a molecular weight of 219.16 g/mol. Its IUPAC name is 5,6-dinitroquinoline.

Molecular Properties

Compound Name5,6-dinitroquinoline
PubChem CID119087514
Molecular FormulaC9H5N3O4
Molecular Weight219.16 g/mol
Exact Mass219.03
IUPAC Name5,6-dinitroquinoline
SMILESO=[N+]([O-])c1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C9H5N3O4/c13-11(14)8-4-3-7-6(2-1-5-10-7)9(8)12(15)16/h1-5H
InChIKeyFNQIBXLNWXOXHD-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

5-nitroquinolin-6-ol
CID 3997706
6-iodo-5-nitroquinoline
CID 119093453
2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
2-(5-nitroquinolin-6-yl)oxyacetic acid
CID 114335171
6-(2-chloroethylsulfanyl)-5-nitroquinoline
CID 43810014
5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine
CID 79360124
CID 88627944
CID 88627944
2-(5-nitroquinolin-6-yl)sulfanylpropanoic acid
CID 43809945
6-(1-chloropropan-2-ylsulfanyl)-5-nitroquinoline
CID 113373866
5-(2-chloronaphthalen-1-yl)-6-nitroquinoline
CID 143854531
1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-one
CID 55163543
1,2-dinitrophenanthridine
CID 154382496

Frequently Asked Questions

What is the IUPAC name of 5,6-dinitroquinoline?
The IUPAC name of 5,6-dinitroquinoline (CID 119087514) is 5,6-dinitroquinoline.
What is the SMILES notation for 5,6-dinitroquinoline?
The canonical SMILES for 5,6-dinitroquinoline is O=[N+]([O-])c1ccc2ncccc2c1[N+](=O)[O-].
What is the InChIKey of 5,6-dinitroquinoline?
The InChIKey is FNQIBXLNWXOXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O4/c13-11(14)8-4-3-7-6(2-1-5-10-7)9(8)12(15)16/h1-5H.
What are the key properties of 5,6-dinitroquinoline?
5,6-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 5,6-dinitroquinoline is sourced from PubChem (CID 119087514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).