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

C15H12BrFN2O2 — CID 146211646

IUPAC8'-bromo-7'-fluoro-3-hydroxy-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCN1C(=O)C2(CC(O)C2)c2c1cnc1cc(F)c(Br)cc21
InChIInChI=1S/C15H12BrFN2O2/c1-19-12-6-18-11-3-10(17)9(16)2-8(11)13(12)15(14(19)21)4-7(20)5-15/h2-3,6-7,20H,4-5H2,1H3
InChIKeyABPGMCXDTOXRKD-UHFFFAOYSA-N
MW351.18 g/mol
LogP2.51
Rot. Bonds

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

8'-bromo-7'-fluoro-3-hydroxy-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one (PubChem CID 146211646) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 8'-bromo-7'-fluoro-3-hydroxy-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one.

Molecular Properties

Compound Name8'-bromo-7'-fluoro-3-hydroxy-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
PubChem CID146211646
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name8'-bromo-7'-fluoro-3-hydroxy-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCN1C(=O)C2(CC(O)C2)c2c1cnc1cc(F)c(Br)cc21
InChIInChI=1S/C15H12BrFN2O2/c1-19-12-6-18-11-3-10(17)9(16)2-8(11)13(12)15(14(19)21)4-7(20)5-15/h2-3,6-7,20H,4-5H2,1H3
InChIKeyABPGMCXDTOXRKD-UHFFFAOYSA-N
XLogP2.51
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8'-bromo-7'-fluoro-3-hydroxy-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8'-bromo-7'-fluoro-3-hydroxy-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The IUPAC name of 8'-bromo-7'-fluoro-3-hydroxy-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one (CID 146211646) is 8'-bromo-7'-fluoro-3-hydroxy-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one.
What is the SMILES notation for 8'-bromo-7'-fluoro-3-hydroxy-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The canonical SMILES for 8'-bromo-7'-fluoro-3-hydroxy-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one is CN1C(=O)C2(CC(O)C2)c2c1cnc1cc(F)c(Br)cc21.
What is the InChIKey of 8'-bromo-7'-fluoro-3-hydroxy-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The InChIKey is ABPGMCXDTOXRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c1-19-12-6-18-11-3-10(17)9(16)2-8(11)13(12)15(14(19)21)4-7(20)5-15/h2-3,6-7,20H,4-5H2,1H3.
What are the key properties of 8'-bromo-7'-fluoro-3-hydroxy-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
8'-bromo-7'-fluoro-3-hydroxy-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one has a molecular weight of 351.18 g/mol, XLogP of 2.51, 0 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-hydroxy-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one is sourced from PubChem (CID 146211646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).