3-(4-aminophenyl)-8-bromo-1-(2-chlorophenyl)imidazo[4,5-c]quinolin-2-one

C22H14BrClN4O — CID 67256236

IUPAC3-(4-aminophenyl)-8-bromo-1-(2-chlorophenyl)imidazo[4,5-c]quinolin-2-one
SMILESNc1ccc(-n2c(=O)n(-c3ccccc3Cl)c3c4cc(Br)ccc4ncc32)cc1
InChIInChI=1S/C22H14BrClN4O/c23-13-5-10-18-16(11-13)21-20(12-26-18)27(15-8-6-14(25)7-9-15)22(29)28(21)19-4-2-1-3-17(19)24/h1-12H,25H2
InChIKeyIIHXYWBIRCTWLM-UHFFFAOYSA-N
MW465.74 g/mol
LogP5.33
Rot. Bonds2

About 3-(4-aminophenyl)-8-bromo-1-(2-chlorophenyl)imidazo[4,5-c]quinolin-2-one

3-(4-aminophenyl)-8-bromo-1-(2-chlorophenyl)imidazo[4,5-c]quinolin-2-one (PubChem CID 67256236) has the molecular formula C22H14BrClN4O and a molecular weight of 465.74 g/mol. Its IUPAC name is 3-(4-aminophenyl)-8-bromo-1-(2-chlorophenyl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-8-bromo-1-(2-chlorophenyl)imidazo[4,5-c]quinolin-2-one
PubChem CID67256236
Molecular FormulaC22H14BrClN4O
Molecular Weight465.74 g/mol
Exact Mass464.00
IUPAC Name3-(4-aminophenyl)-8-bromo-1-(2-chlorophenyl)imidazo[4,5-c]quinolin-2-one
SMILESNc1ccc(-n2c(=O)n(-c3ccccc3Cl)c3c4cc(Br)ccc4ncc32)cc1
InChIInChI=1S/C22H14BrClN4O/c23-13-5-10-18-16(11-13)21-20(12-26-18)27(15-8-6-14(25)7-9-15)22(29)28(21)19-4-2-1-3-17(19)24/h1-12H,25H2
InChIKeyIIHXYWBIRCTWLM-UHFFFAOYSA-N
XLogP5.33
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.74
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-8-bromo-1-(2-chlorophenyl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 3-(4-aminophenyl)-8-bromo-1-(2-chlorophenyl)imidazo[4,5-c]quinolin-2-one (CID 67256236) is 3-(4-aminophenyl)-8-bromo-1-(2-chlorophenyl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 3-(4-aminophenyl)-8-bromo-1-(2-chlorophenyl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 3-(4-aminophenyl)-8-bromo-1-(2-chlorophenyl)imidazo[4,5-c]quinolin-2-one is Nc1ccc(-n2c(=O)n(-c3ccccc3Cl)c3c4cc(Br)ccc4ncc32)cc1.
What is the InChIKey of 3-(4-aminophenyl)-8-bromo-1-(2-chlorophenyl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is IIHXYWBIRCTWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrClN4O/c23-13-5-10-18-16(11-13)21-20(12-26-18)27(15-8-6-14(25)7-9-15)22(29)28(21)19-4-2-1-3-17(19)24/h1-12H,25H2.
What are the key properties of 3-(4-aminophenyl)-8-bromo-1-(2-chlorophenyl)imidazo[4,5-c]quinolin-2-one?
3-(4-aminophenyl)-8-bromo-1-(2-chlorophenyl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 465.74 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-8-bromo-1-(2-chlorophenyl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 67256236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).