CID 89232111

C23H18BClN4O2 — CID 89232111

IUPAC—
SMILES[B]c1ccc(NC(=O)Nc2ccccc2Oc2cc(C)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C23H18BClN4O2/c1-15-14-22(29(28-15)20-8-4-2-6-18(20)25)31-21-9-5-3-7-19(21)27-23(30)26-17-12-10-16(24)11-13-17/h2-14H,1H3,(H2,26,27,30)
InChIKeyGCFGHUYJCARCGH-UHFFFAOYSA-N
MW428.69 g/mol
LogP5.06
Rot. Bonds5

About CID 89232111

CID 89232111 (PubChem CID 89232111) has the molecular formula C23H18BClN4O2 and a molecular weight of 428.69 g/mol.

Molecular Properties

Compound NameCID 89232111
PubChem CID89232111
Molecular FormulaC23H18BClN4O2
Molecular Weight428.69 g/mol
Exact Mass428.12
IUPAC Name—
SMILES[B]c1ccc(NC(=O)Nc2ccccc2Oc2cc(C)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C23H18BClN4O2/c1-15-14-22(29(28-15)20-8-4-2-6-18(20)25)31-21-9-5-3-7-19(21)27-23(30)26-17-12-10-16(24)11-13-17/h2-14H,1H3,(H2,26,27,30)
InChIKeyGCFGHUYJCARCGH-UHFFFAOYSA-N
XLogP5.06
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.69
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 89232111 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 CID 89232111?
The IUPAC name of CID 89232111 (CID 89232111) is not available.
What is the SMILES notation for CID 89232111?
The canonical SMILES for CID 89232111 is [B]c1ccc(NC(=O)Nc2ccccc2Oc2cc(C)nn2-c2ccccc2Cl)cc1.
What is the InChIKey of CID 89232111?
The InChIKey is GCFGHUYJCARCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BClN4O2/c1-15-14-22(29(28-15)20-8-4-2-6-18(20)25)31-21-9-5-3-7-19(21)27-23(30)26-17-12-10-16(24)11-13-17/h2-14H,1H3,(H2,26,27,30).
What are the key properties of CID 89232111?
CID 89232111 has a molecular weight of 428.69 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89232111 is sourced from PubChem (CID 89232111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).