CID 88886020

C18H14BF2N3O3 — CID 88886020

IUPAC—
SMILES[B]c1cc(F)c(Nc2c(C(=O)N3CC[C@@H](O)C3)oc3ccncc23)cc1F
InChIInChI=1S/C18H14BF2N3O3/c19-11-5-13(21)14(6-12(11)20)23-16-10-7-22-3-1-15(10)27-17(16)18(26)24-4-2-9(25)8-24/h1,3,5-7,9,23,25H,2,4,8H2/t9-/m1/s1
InChIKeyUFPBREZNAUMBDG-SECBINFHSA-N
MW369.14 g/mol
LogP1.85
Rot. Bonds3

About CID 88886020

CID 88886020 (PubChem CID 88886020) has the molecular formula C18H14BF2N3O3 and a molecular weight of 369.14 g/mol.

Molecular Properties

Compound NameCID 88886020
PubChem CID88886020
Molecular FormulaC18H14BF2N3O3
Molecular Weight369.14 g/mol
Exact Mass369.11
IUPAC Name—
SMILES[B]c1cc(F)c(Nc2c(C(=O)N3CC[C@@H](O)C3)oc3ccncc23)cc1F
InChIInChI=1S/C18H14BF2N3O3/c19-11-5-13(21)14(6-12(11)20)23-16-10-7-22-3-1-15(10)27-17(16)18(26)24-4-2-9(25)8-24/h1,3,5-7,9,23,25H,2,4,8H2/t9-/m1/s1
InChIKeyUFPBREZNAUMBDG-SECBINFHSA-N
XLogP1.85
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.14
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 88886020 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 88886020?
The IUPAC name of CID 88886020 (CID 88886020) is not available.
What is the SMILES notation for CID 88886020?
The canonical SMILES for CID 88886020 is [B]c1cc(F)c(Nc2c(C(=O)N3CC[C@@H](O)C3)oc3ccncc23)cc1F.
What is the InChIKey of CID 88886020?
The InChIKey is UFPBREZNAUMBDG-SECBINFHSA-N. The full InChI is InChI=1S/C18H14BF2N3O3/c19-11-5-13(21)14(6-12(11)20)23-16-10-7-22-3-1-15(10)27-17(16)18(26)24-4-2-9(25)8-24/h1,3,5-7,9,23,25H,2,4,8H2/t9-/m1/s1.
What are the key properties of CID 88886020?
CID 88886020 has a molecular weight of 369.14 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88886020 is sourced from PubChem (CID 88886020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).