3-nitrobenzimidazolo[1,2-a]quinoline

C15H9N3O2 — CID 57395426

IUPAC3-nitrobenzimidazolo[1,2-a]quinoline
SMILESO=[N+]([O-])c1ccc2c(ccc3nc4ccccc4n32)c1
InChIInChI=1S/C15H9N3O2/c19-18(20)11-6-7-13-10(9-11)5-8-15-16-12-3-1-2-4-14(12)17(13)15/h1-9H
InChIKeyOPYOXUVTRDODDJ-UHFFFAOYSA-N
MW263.26 g/mol
LogP3.55
Rot. Bonds1

About 3-nitrobenzimidazolo[1,2-a]quinoline

3-nitrobenzimidazolo[1,2-a]quinoline (PubChem CID 57395426) has the molecular formula C15H9N3O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-nitrobenzimidazolo[1,2-a]quinoline.

Molecular Properties

Compound Name3-nitrobenzimidazolo[1,2-a]quinoline
PubChem CID57395426
Molecular FormulaC15H9N3O2
Molecular Weight263.26 g/mol
Exact Mass263.07
IUPAC Name3-nitrobenzimidazolo[1,2-a]quinoline
SMILESO=[N+]([O-])c1ccc2c(ccc3nc4ccccc4n32)c1
InChIInChI=1S/C15H9N3O2/c19-18(20)11-6-7-13-10(9-11)5-8-15-16-12-3-1-2-4-14(12)17(13)15/h1-9H
InChIKeyOPYOXUVTRDODDJ-UHFFFAOYSA-N
XLogP3.55
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-nitrobenzimidazolo[1,2-a]quinoline?
The IUPAC name of 3-nitrobenzimidazolo[1,2-a]quinoline (CID 57395426) is 3-nitrobenzimidazolo[1,2-a]quinoline.
What is the SMILES notation for 3-nitrobenzimidazolo[1,2-a]quinoline?
The canonical SMILES for 3-nitrobenzimidazolo[1,2-a]quinoline is O=[N+]([O-])c1ccc2c(ccc3nc4ccccc4n32)c1.
What is the InChIKey of 3-nitrobenzimidazolo[1,2-a]quinoline?
The InChIKey is OPYOXUVTRDODDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2/c19-18(20)11-6-7-13-10(9-11)5-8-15-16-12-3-1-2-4-14(12)17(13)15/h1-9H.
What are the key properties of 3-nitrobenzimidazolo[1,2-a]quinoline?
3-nitrobenzimidazolo[1,2-a]quinoline has a molecular weight of 263.26 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitrobenzimidazolo[1,2-a]quinoline is sourced from PubChem (CID 57395426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).