8'-bromo-7'-fluoro-3'-methyl-3-phenoxyspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one

C21H16BrFN2O2 — CID 146212112

IUPAC8'-bromo-7'-fluoro-3'-methyl-3-phenoxyspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCN1C(=O)C2(CC(Oc3ccccc3)C2)c2c1cnc1cc(F)c(Br)cc21
InChIInChI=1S/C21H16BrFN2O2/c1-25-18-11-24-17-8-16(23)15(22)7-14(17)19(18)21(20(25)26)9-13(10-21)27-12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3
InChIKeyGLDXSHMPGDXCGA-UHFFFAOYSA-N
MW427.27 g/mol
LogP4.59
Rot. Bonds2

About 8'-bromo-7'-fluoro-3'-methyl-3-phenoxyspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one

8'-bromo-7'-fluoro-3'-methyl-3-phenoxyspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one (PubChem CID 146212112) has the molecular formula C21H16BrFN2O2 and a molecular weight of 427.27 g/mol. Its IUPAC name is 8'-bromo-7'-fluoro-3'-methyl-3-phenoxyspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one.

Molecular Properties

Compound Name8'-bromo-7'-fluoro-3'-methyl-3-phenoxyspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
PubChem CID146212112
Molecular FormulaC21H16BrFN2O2
Molecular Weight427.27 g/mol
Exact Mass426.04
IUPAC Name8'-bromo-7'-fluoro-3'-methyl-3-phenoxyspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCN1C(=O)C2(CC(Oc3ccccc3)C2)c2c1cnc1cc(F)c(Br)cc21
InChIInChI=1S/C21H16BrFN2O2/c1-25-18-11-24-17-8-16(23)15(22)7-14(17)19(18)21(20(25)26)9-13(10-21)27-12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3
InChIKeyGLDXSHMPGDXCGA-UHFFFAOYSA-N
XLogP4.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.27
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8'-bromo-7'-fluoro-3'-methyl-3-phenoxyspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-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 8'-bromo-7'-fluoro-3'-methyl-3-phenoxyspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The IUPAC name of 8'-bromo-7'-fluoro-3'-methyl-3-phenoxyspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one (CID 146212112) is 8'-bromo-7'-fluoro-3'-methyl-3-phenoxyspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one.
What is the SMILES notation for 8'-bromo-7'-fluoro-3'-methyl-3-phenoxyspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The canonical SMILES for 8'-bromo-7'-fluoro-3'-methyl-3-phenoxyspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one is CN1C(=O)C2(CC(Oc3ccccc3)C2)c2c1cnc1cc(F)c(Br)cc21.
What is the InChIKey of 8'-bromo-7'-fluoro-3'-methyl-3-phenoxyspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The InChIKey is GLDXSHMPGDXCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrFN2O2/c1-25-18-11-24-17-8-16(23)15(22)7-14(17)19(18)21(20(25)26)9-13(10-21)27-12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3.
What are the key properties of 8'-bromo-7'-fluoro-3'-methyl-3-phenoxyspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
8'-bromo-7'-fluoro-3'-methyl-3-phenoxyspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one has a molecular weight of 427.27 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-bromo-7'-fluoro-3'-methyl-3-phenoxyspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one is sourced from PubChem (CID 146212112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).