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

C15H12BrFN2O2 — CID 146212075

IUPAC8-bromo-7-fluoro-3'-methoxyspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one
SMILESCOC1CC2(C1)C(=O)Nc1cnc3cc(F)c(Br)cc3c12
InChIInChI=1S/C15H12BrFN2O2/c1-21-7-4-15(5-7)13-8-2-9(16)10(17)3-11(8)18-6-12(13)19-14(15)20/h2-3,6-7H,4-5H2,1H3,(H,19,20)
InChIKeyOLUGULSZPIJORE-UHFFFAOYSA-N
MW351.18 g/mol
LogP3.14
Rot. Bonds1

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

8-bromo-7-fluoro-3'-methoxyspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one (PubChem CID 146212075) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 8-bromo-7-fluoro-3'-methoxyspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name8-bromo-7-fluoro-3'-methoxyspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one
PubChem CID146212075
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name8-bromo-7-fluoro-3'-methoxyspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one
SMILESCOC1CC2(C1)C(=O)Nc1cnc3cc(F)c(Br)cc3c12
InChIInChI=1S/C15H12BrFN2O2/c1-21-7-4-15(5-7)13-8-2-9(16)10(17)3-11(8)18-6-12(13)19-14(15)20/h2-3,6-7H,4-5H2,1H3,(H,19,20)
InChIKeyOLUGULSZPIJORE-UHFFFAOYSA-N
XLogP3.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-3'-methoxyspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one?
The IUPAC name of 8-bromo-7-fluoro-3'-methoxyspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one (CID 146212075) is 8-bromo-7-fluoro-3'-methoxyspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one.
What is the SMILES notation for 8-bromo-7-fluoro-3'-methoxyspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one?
The canonical SMILES for 8-bromo-7-fluoro-3'-methoxyspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one is COC1CC2(C1)C(=O)Nc1cnc3cc(F)c(Br)cc3c12.
What is the InChIKey of 8-bromo-7-fluoro-3'-methoxyspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one?
The InChIKey is OLUGULSZPIJORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c1-21-7-4-15(5-7)13-8-2-9(16)10(17)3-11(8)18-6-12(13)19-14(15)20/h2-3,6-7H,4-5H2,1H3,(H,19,20).
What are the key properties of 8-bromo-7-fluoro-3'-methoxyspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one?
8-bromo-7-fluoro-3'-methoxyspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one has a molecular weight of 351.18 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoro-3'-methoxyspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one is sourced from PubChem (CID 146212075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).