3-(4-bromophenyl)-1-(2-nitrophenyl)imidazo[2,1-b]quinazolin-5-one

C22H13BrN4O3 — CID 3065299

IUPAC3-(4-bromophenyl)-1-(2-nitrophenyl)imidazo[2,1-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2n(-c3ccccc3[N+](=O)[O-])cc(-c3ccc(Br)cc3)n12
InChIInChI=1S/C22H13BrN4O3/c23-15-11-9-14(10-12-15)20-13-25(18-7-3-4-8-19(18)27(29)30)22-24-17-6-2-1-5-16(17)21(28)26(20)22/h1-13H
InChIKeyQXLMFJQEDSFOLH-UHFFFAOYSA-N
MW461.28 g/mol
LogP4.98
Rot. Bonds3

About 3-(4-bromophenyl)-1-(2-nitrophenyl)imidazo[2,1-b]quinazolin-5-one

3-(4-bromophenyl)-1-(2-nitrophenyl)imidazo[2,1-b]quinazolin-5-one (PubChem CID 3065299) has the molecular formula C22H13BrN4O3 and a molecular weight of 461.28 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(2-nitrophenyl)imidazo[2,1-b]quinazolin-5-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(2-nitrophenyl)imidazo[2,1-b]quinazolin-5-one
PubChem CID3065299
Molecular FormulaC22H13BrN4O3
Molecular Weight461.28 g/mol
Exact Mass460.02
IUPAC Name3-(4-bromophenyl)-1-(2-nitrophenyl)imidazo[2,1-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2n(-c3ccccc3[N+](=O)[O-])cc(-c3ccc(Br)cc3)n12
InChIInChI=1S/C22H13BrN4O3/c23-15-11-9-14(10-12-15)20-13-25(18-7-3-4-8-19(18)27(29)30)22-24-17-6-2-1-5-16(17)21(28)26(20)22/h1-13H
InChIKeyQXLMFJQEDSFOLH-UHFFFAOYSA-N
XLogP4.98
TPSA82.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.28
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(4-bromophenyl)-1-(2-nitrophenyl)imidazo[2,1-b]quinazolin-5-one?
The IUPAC name of 3-(4-bromophenyl)-1-(2-nitrophenyl)imidazo[2,1-b]quinazolin-5-one (CID 3065299) is 3-(4-bromophenyl)-1-(2-nitrophenyl)imidazo[2,1-b]quinazolin-5-one.
What is the SMILES notation for 3-(4-bromophenyl)-1-(2-nitrophenyl)imidazo[2,1-b]quinazolin-5-one?
The canonical SMILES for 3-(4-bromophenyl)-1-(2-nitrophenyl)imidazo[2,1-b]quinazolin-5-one is O=c1c2ccccc2nc2n(-c3ccccc3[N+](=O)[O-])cc(-c3ccc(Br)cc3)n12.
What is the InChIKey of 3-(4-bromophenyl)-1-(2-nitrophenyl)imidazo[2,1-b]quinazolin-5-one?
The InChIKey is QXLMFJQEDSFOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrN4O3/c23-15-11-9-14(10-12-15)20-13-25(18-7-3-4-8-19(18)27(29)30)22-24-17-6-2-1-5-16(17)21(28)26(20)22/h1-13H.
What are the key properties of 3-(4-bromophenyl)-1-(2-nitrophenyl)imidazo[2,1-b]quinazolin-5-one?
3-(4-bromophenyl)-1-(2-nitrophenyl)imidazo[2,1-b]quinazolin-5-one has a molecular weight of 461.28 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(2-nitrophenyl)imidazo[2,1-b]quinazolin-5-one is sourced from PubChem (CID 3065299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).