CID 20805719

C18H24BN3O — CID 20805719

IUPAC—
SMILES[B]CCc1nc(CC23CC4CC(CC(C4)C2)C3)ncc1C(N)=O
InChIInChI=1S/C18H24BN3O/c19-2-1-15-14(17(20)23)10-21-16(22-15)9-18-6-11-3-12(7-18)5-13(4-11)8-18/h10-13H,1-9H2,(H2,20,23)
InChIKeyXKRAKTNRDHZGRH-UHFFFAOYSA-N
MW309.22 g/mol
LogP2.46
Rot. Bonds5

About CID 20805719

CID 20805719 (PubChem CID 20805719) has the molecular formula C18H24BN3O and a molecular weight of 309.22 g/mol.

Molecular Properties

Compound NameCID 20805719
PubChem CID20805719
Molecular FormulaC18H24BN3O
Molecular Weight309.22 g/mol
Exact Mass309.20
IUPAC Name—
SMILES[B]CCc1nc(CC23CC4CC(CC(C4)C2)C3)ncc1C(N)=O
InChIInChI=1S/C18H24BN3O/c19-2-1-15-14(17(20)23)10-21-16(22-15)9-18-6-11-3-12(7-18)5-13(4-11)8-18/h10-13H,1-9H2,(H2,20,23)
InChIKeyXKRAKTNRDHZGRH-UHFFFAOYSA-N
XLogP2.46
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 20805719 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 20805719?
The IUPAC name of CID 20805719 (CID 20805719) is not available.
What is the SMILES notation for CID 20805719?
The canonical SMILES for CID 20805719 is [B]CCc1nc(CC23CC4CC(CC(C4)C2)C3)ncc1C(N)=O.
What is the InChIKey of CID 20805719?
The InChIKey is XKRAKTNRDHZGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BN3O/c19-2-1-15-14(17(20)23)10-21-16(22-15)9-18-6-11-3-12(7-18)5-13(4-11)8-18/h10-13H,1-9H2,(H2,20,23).
What are the key properties of CID 20805719?
CID 20805719 has a molecular weight of 309.22 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20805719 is sourced from PubChem (CID 20805719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).