8-imidazol-1-yl-5-nitroisoquinoline

C12H8N4O2 — CID 103143009

IUPAC8-imidazol-1-yl-5-nitroisoquinoline
SMILESO=[N+]([O-])c1ccc(-n2ccnc2)c2cnccc12
InChIInChI=1S/C12H8N4O2/c17-16(18)12-2-1-11(15-6-5-14-8-15)10-7-13-4-3-9(10)12/h1-8H
InChIKeyJDVGLCGVRDYKND-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.33
Rot. Bonds2

About 8-imidazol-1-yl-5-nitroisoquinoline

8-imidazol-1-yl-5-nitroisoquinoline (PubChem CID 103143009) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 8-imidazol-1-yl-5-nitroisoquinoline.

Molecular Properties

Compound Name8-imidazol-1-yl-5-nitroisoquinoline
PubChem CID103143009
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name8-imidazol-1-yl-5-nitroisoquinoline
SMILESO=[N+]([O-])c1ccc(-n2ccnc2)c2cnccc12
InChIInChI=1S/C12H8N4O2/c17-16(18)12-2-1-11(15-6-5-14-8-15)10-7-13-4-3-9(10)12/h1-8H
InChIKeyJDVGLCGVRDYKND-UHFFFAOYSA-N
XLogP2.33
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.33
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

4-imidazol-1-yl-7-nitroquinolin-8-ol
CID 166150167
1-(5-nitroisoquinolin-8-yl)pyrrolidin-3-ol
CID 103142543
8-chloro-5-nitroisoquinoline
CID 53420876
8-(1,4-diazepan-1-yl)-5-nitroisoquinoline
CID 103136657
8-nitroisoquinoline-5-carbaldehyde
CID 165144248
1-(5-nitroisoquinolin-8-yl)pyrrolidine-3-carboxylic acid
CID 103140345
1-(8-nitroisoquinolin-5-yl)-1,2,4-triazole-3-carbonitrile
CID 43048313
5-nitroisoquinoline-8-sulfonamide
CID 103142769
1-(3-iodo-4-nitrophenyl)imidazole
CID 47278183
1-(5-nitroisoquinolin-8-yl)ethanol
CID 167328366
1-(2-bromo-4-nitrophenyl)imidazole
CID 1475101
6-imidazol-1-yl-3-nitropyridin-2-amine
CID 10512423

Frequently Asked Questions

What is the IUPAC name of 8-imidazol-1-yl-5-nitroisoquinoline?
The IUPAC name of 8-imidazol-1-yl-5-nitroisoquinoline (CID 103143009) is 8-imidazol-1-yl-5-nitroisoquinoline.
What is the SMILES notation for 8-imidazol-1-yl-5-nitroisoquinoline?
The canonical SMILES for 8-imidazol-1-yl-5-nitroisoquinoline is O=[N+]([O-])c1ccc(-n2ccnc2)c2cnccc12.
What is the InChIKey of 8-imidazol-1-yl-5-nitroisoquinoline?
The InChIKey is JDVGLCGVRDYKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-16(18)12-2-1-11(15-6-5-14-8-15)10-7-13-4-3-9(10)12/h1-8H.
What are the key properties of 8-imidazol-1-yl-5-nitroisoquinoline?
8-imidazol-1-yl-5-nitroisoquinoline has a molecular weight of 240.22 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imidazol-1-yl-5-nitroisoquinoline is sourced from PubChem (CID 103143009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).