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

C22H13N5O5 — CID 3065277

IUPAC1,3-bis(4-nitrophenyl)imidazo[2,1-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2n(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccc([N+](=O)[O-])cc3)n12
InChIInChI=1S/C22H13N5O5/c28-21-18-3-1-2-4-19(18)23-22-24(15-9-11-17(12-10-15)27(31)32)13-20(25(21)22)14-5-7-16(8-6-14)26(29)30/h1-13H
InChIKeyZWLIXBKPEPYQBD-UHFFFAOYSA-N
MW427.38 g/mol
LogP4.12
Rot. Bonds4

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

1,3-bis(4-nitrophenyl)imidazo[2,1-b]quinazolin-5-one (PubChem CID 3065277) has the molecular formula C22H13N5O5 and a molecular weight of 427.38 g/mol. Its IUPAC name is 1,3-bis(4-nitrophenyl)imidazo[2,1-b]quinazolin-5-one.

Molecular Properties

Compound Name1,3-bis(4-nitrophenyl)imidazo[2,1-b]quinazolin-5-one
PubChem CID3065277
Molecular FormulaC22H13N5O5
Molecular Weight427.38 g/mol
Exact Mass427.09
IUPAC Name1,3-bis(4-nitrophenyl)imidazo[2,1-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2n(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccc([N+](=O)[O-])cc3)n12
InChIInChI=1S/C22H13N5O5/c28-21-18-3-1-2-4-19(18)23-22-24(15-9-11-17(12-10-15)27(31)32)13-20(25(21)22)14-5-7-16(8-6-14)26(29)30/h1-13H
InChIKeyZWLIXBKPEPYQBD-UHFFFAOYSA-N
XLogP4.12
TPSA125.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,3-bis(4-nitrophenyl)imidazo[2,1-b]quinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-nitrophenyl)imidazo[2,1-b]quinazolin-5-one?
The IUPAC name of 1,3-bis(4-nitrophenyl)imidazo[2,1-b]quinazolin-5-one (CID 3065277) is 1,3-bis(4-nitrophenyl)imidazo[2,1-b]quinazolin-5-one.
What is the SMILES notation for 1,3-bis(4-nitrophenyl)imidazo[2,1-b]quinazolin-5-one?
The canonical SMILES for 1,3-bis(4-nitrophenyl)imidazo[2,1-b]quinazolin-5-one is O=c1c2ccccc2nc2n(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccc([N+](=O)[O-])cc3)n12.
What is the InChIKey of 1,3-bis(4-nitrophenyl)imidazo[2,1-b]quinazolin-5-one?
The InChIKey is ZWLIXBKPEPYQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N5O5/c28-21-18-3-1-2-4-19(18)23-22-24(15-9-11-17(12-10-15)27(31)32)13-20(25(21)22)14-5-7-16(8-6-14)26(29)30/h1-13H.
What are the key properties of 1,3-bis(4-nitrophenyl)imidazo[2,1-b]quinazolin-5-one?
1,3-bis(4-nitrophenyl)imidazo[2,1-b]quinazolin-5-one has a molecular weight of 427.38 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-nitrophenyl)imidazo[2,1-b]quinazolin-5-one is sourced from PubChem (CID 3065277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).