CID 89023824

C18H18BFN2O3 — CID 89023824

IUPAC—
SMILES[B]c1ccc(Nc2c(C(=O)OCC)c3n(c(=O)c2C)CCC3)c(F)c1
InChIInChI=1S/C18H18BFN2O3/c1-3-25-18(24)15-14-5-4-8-22(14)17(23)10(2)16(15)21-13-7-6-11(19)9-12(13)20/h6-7,9,21H,3-5,8H2,1-2H3
InChIKeyOSTOLOZQFPBVNI-UHFFFAOYSA-N
MW340.16 g/mol
LogP1.96
Rot. Bonds4

About CID 89023824

CID 89023824 (PubChem CID 89023824) has the molecular formula C18H18BFN2O3 and a molecular weight of 340.16 g/mol.

Molecular Properties

Compound NameCID 89023824
PubChem CID89023824
Molecular FormulaC18H18BFN2O3
Molecular Weight340.16 g/mol
Exact Mass340.14
IUPAC Name—
SMILES[B]c1ccc(Nc2c(C(=O)OCC)c3n(c(=O)c2C)CCC3)c(F)c1
InChIInChI=1S/C18H18BFN2O3/c1-3-25-18(24)15-14-5-4-8-22(14)17(23)10(2)16(15)21-13-7-6-11(19)9-12(13)20/h6-7,9,21H,3-5,8H2,1-2H3
InChIKeyOSTOLOZQFPBVNI-UHFFFAOYSA-N
XLogP1.96
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 89023824 with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane
CID 143806427
ethyl 7,8-difluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate
CID 643352
6-chloro-7-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane
CID 143806439
ethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate
CID 155177441
6-fluoro-7-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropoxy)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CID 42606321
(3-amino-3-oxopropyl) 7-(4-bromo-2-fluoroanilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 66771111
CID 88870300
CID 88870300
CID 88942166
CID 88942166
7-(4-bromo-2-fluoroanilino)-6-fluoro-8-(methylamino)-2,3-dihydro-1H-indolizin-5-one
CID 70843615
ethyl 2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate
CID 154663343
tert-butyl 8-amino-7-(4-bromo-2-fluoroanilino)-6-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-1-carboxylate
CID 67194720
4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11395411

Frequently Asked Questions

What is the IUPAC name of CID 89023824?
The IUPAC name of CID 89023824 (CID 89023824) is not available.
What is the SMILES notation for CID 89023824?
The canonical SMILES for CID 89023824 is [B]c1ccc(Nc2c(C(=O)OCC)c3n(c(=O)c2C)CCC3)c(F)c1.
What is the InChIKey of CID 89023824?
The InChIKey is OSTOLOZQFPBVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BFN2O3/c1-3-25-18(24)15-14-5-4-8-22(14)17(23)10(2)16(15)21-13-7-6-11(19)9-12(13)20/h6-7,9,21H,3-5,8H2,1-2H3.
What are the key properties of CID 89023824?
CID 89023824 has a molecular weight of 340.16 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89023824 is sourced from PubChem (CID 89023824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).