7-bromo-2-(2-nitrophenyl)-3H-imidazo[4,5-c]quinoline

C16H9BrN4O2 — CID 57399485

IUPAC7-bromo-2-(2-nitrophenyl)-3H-imidazo[4,5-c]quinoline
SMILESO=[N+]([O-])c1ccccc1-c1nc2c(cnc3cc(Br)ccc32)[nH]1
InChIInChI=1S/C16H9BrN4O2/c17-9-5-6-10-12(7-9)18-8-13-15(10)20-16(19-13)11-3-1-2-4-14(11)21(22)23/h1-8H,(H,19,20)
InChIKeyDTEQOLGYYWWQRS-UHFFFAOYSA-N
MW369.18 g/mol
LogP4.45
Rot. Bonds2

About 7-bromo-2-(2-nitrophenyl)-3H-imidazo[4,5-c]quinoline

7-bromo-2-(2-nitrophenyl)-3H-imidazo[4,5-c]quinoline (PubChem CID 57399485) has the molecular formula C16H9BrN4O2 and a molecular weight of 369.18 g/mol. Its IUPAC name is 7-bromo-2-(2-nitrophenyl)-3H-imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name7-bromo-2-(2-nitrophenyl)-3H-imidazo[4,5-c]quinoline
PubChem CID57399485
Molecular FormulaC16H9BrN4O2
Molecular Weight369.18 g/mol
Exact Mass367.99
IUPAC Name7-bromo-2-(2-nitrophenyl)-3H-imidazo[4,5-c]quinoline
SMILESO=[N+]([O-])c1ccccc1-c1nc2c(cnc3cc(Br)ccc32)[nH]1
InChIInChI=1S/C16H9BrN4O2/c17-9-5-6-10-12(7-9)18-8-13-15(10)20-16(19-13)11-3-1-2-4-14(11)21(22)23/h1-8H,(H,19,20)
InChIKeyDTEQOLGYYWWQRS-UHFFFAOYSA-N
XLogP4.45
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 54.45
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 7-bromo-2-(2-nitrophenyl)-3H-imidazo[4,5-c]quinoline?
The IUPAC name of 7-bromo-2-(2-nitrophenyl)-3H-imidazo[4,5-c]quinoline (CID 57399485) is 7-bromo-2-(2-nitrophenyl)-3H-imidazo[4,5-c]quinoline.
What is the SMILES notation for 7-bromo-2-(2-nitrophenyl)-3H-imidazo[4,5-c]quinoline?
The canonical SMILES for 7-bromo-2-(2-nitrophenyl)-3H-imidazo[4,5-c]quinoline is O=[N+]([O-])c1ccccc1-c1nc2c(cnc3cc(Br)ccc32)[nH]1.
What is the InChIKey of 7-bromo-2-(2-nitrophenyl)-3H-imidazo[4,5-c]quinoline?
The InChIKey is DTEQOLGYYWWQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrN4O2/c17-9-5-6-10-12(7-9)18-8-13-15(10)20-16(19-13)11-3-1-2-4-14(11)21(22)23/h1-8H,(H,19,20).
What are the key properties of 7-bromo-2-(2-nitrophenyl)-3H-imidazo[4,5-c]quinoline?
7-bromo-2-(2-nitrophenyl)-3H-imidazo[4,5-c]quinoline has a molecular weight of 369.18 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-nitrophenyl)-3H-imidazo[4,5-c]quinoline is sourced from PubChem (CID 57399485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).