8-bromo-7-fluoro-3'-(methoxymethyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one

C16H14BrFN2O2 — CID 146211720

IUPAC8-bromo-7-fluoro-3'-(methoxymethyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one
SMILESCOCC1CC2(C1)C(=O)Nc1cnc3cc(F)c(Br)cc3c12
InChIInChI=1S/C16H14BrFN2O2/c1-22-7-8-4-16(5-8)14-9-2-10(17)11(18)3-12(9)19-6-13(14)20-15(16)21/h2-3,6,8H,4-5,7H2,1H3,(H,20,21)
InChIKeyQRQPPLCQIPELID-UHFFFAOYSA-N
MW365.20 g/mol
LogP3.38
Rot. Bonds2

About 8-bromo-7-fluoro-3'-(methoxymethyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one

8-bromo-7-fluoro-3'-(methoxymethyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one (PubChem CID 146211720) has the molecular formula C16H14BrFN2O2 and a molecular weight of 365.20 g/mol. Its IUPAC name is 8-bromo-7-fluoro-3'-(methoxymethyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name8-bromo-7-fluoro-3'-(methoxymethyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one
PubChem CID146211720
Molecular FormulaC16H14BrFN2O2
Molecular Weight365.20 g/mol
Exact Mass364.02
IUPAC Name8-bromo-7-fluoro-3'-(methoxymethyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one
SMILESCOCC1CC2(C1)C(=O)Nc1cnc3cc(F)c(Br)cc3c12
InChIInChI=1S/C16H14BrFN2O2/c1-22-7-8-4-16(5-8)14-9-2-10(17)11(18)3-12(9)19-6-13(14)20-15(16)21/h2-3,6,8H,4-5,7H2,1H3,(H,20,21)
InChIKeyQRQPPLCQIPELID-UHFFFAOYSA-N
XLogP3.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-bromo-7-fluoro-3'-(methoxymethyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-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'-(methoxymethyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one?
The IUPAC name of 8-bromo-7-fluoro-3'-(methoxymethyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one (CID 146211720) is 8-bromo-7-fluoro-3'-(methoxymethyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one.
What is the SMILES notation for 8-bromo-7-fluoro-3'-(methoxymethyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one?
The canonical SMILES for 8-bromo-7-fluoro-3'-(methoxymethyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one is COCC1CC2(C1)C(=O)Nc1cnc3cc(F)c(Br)cc3c12.
What is the InChIKey of 8-bromo-7-fluoro-3'-(methoxymethyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one?
The InChIKey is QRQPPLCQIPELID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O2/c1-22-7-8-4-16(5-8)14-9-2-10(17)11(18)3-12(9)19-6-13(14)20-15(16)21/h2-3,6,8H,4-5,7H2,1H3,(H,20,21).
What are the key properties of 8-bromo-7-fluoro-3'-(methoxymethyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one?
8-bromo-7-fluoro-3'-(methoxymethyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one has a molecular weight of 365.20 g/mol, XLogP of 3.38, 2 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'-(methoxymethyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one is sourced from PubChem (CID 146211720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).