4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-g]quinoline

C16H9ClN4O2 — CID 24988692

IUPAC4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-g]quinoline
SMILESO=[N+]([O-])c1ccc(-c2nc3c(Cl)c4ncccc4cc3[nH]2)cc1
InChIInChI=1S/C16H9ClN4O2/c17-13-14-10(2-1-7-18-14)8-12-15(13)20-16(19-12)9-3-5-11(6-4-9)21(22)23/h1-8H,(H,19,20)
InChIKeyXENAOWOBYWGOSI-UHFFFAOYSA-N
MW324.73 g/mol
LogP4.34
Rot. Bonds2

About 4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-g]quinoline

4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-g]quinoline (PubChem CID 24988692) has the molecular formula C16H9ClN4O2 and a molecular weight of 324.73 g/mol. Its IUPAC name is 4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-g]quinoline.

Molecular Properties

Compound Name4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-g]quinoline
PubChem CID24988692
Molecular FormulaC16H9ClN4O2
Molecular Weight324.73 g/mol
Exact Mass324.04
IUPAC Name4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-g]quinoline
SMILESO=[N+]([O-])c1ccc(-c2nc3c(Cl)c4ncccc4cc3[nH]2)cc1
InChIInChI=1S/C16H9ClN4O2/c17-13-14-10(2-1-7-18-14)8-12-15(13)20-16(19-12)9-3-5-11(6-4-9)21(22)23/h1-8H,(H,19,20)
InChIKeyXENAOWOBYWGOSI-UHFFFAOYSA-N
XLogP4.34
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 54.34
H-Bond Donors ≤ 51
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 4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-g]quinoline?
The IUPAC name of 4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-g]quinoline (CID 24988692) is 4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-g]quinoline.
What is the SMILES notation for 4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-g]quinoline?
The canonical SMILES for 4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-g]quinoline is O=[N+]([O-])c1ccc(-c2nc3c(Cl)c4ncccc4cc3[nH]2)cc1.
What is the InChIKey of 4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-g]quinoline?
The InChIKey is XENAOWOBYWGOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN4O2/c17-13-14-10(2-1-7-18-14)8-12-15(13)20-16(19-12)9-3-5-11(6-4-9)21(22)23/h1-8H,(H,19,20).
What are the key properties of 4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-g]quinoline?
4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-g]quinoline has a molecular weight of 324.73 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-g]quinoline is sourced from PubChem (CID 24988692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).