8-bromo-7-fluoro-3'-pyridin-4-ylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one

C19H13BrFN3O — CID 146211538

IUPAC8-bromo-7-fluoro-3'-pyridin-4-ylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one
SMILESO=C1Nc2cnc3cc(F)c(Br)cc3c2C12CC(c1ccncc1)C2
InChIInChI=1S/C19H13BrFN3O/c20-13-5-12-15(6-14(13)21)23-9-16-17(12)19(18(25)24-16)7-11(8-19)10-1-3-22-4-2-10/h1-6,9,11H,7-8H2,(H,24,25)
InChIKeyAXWVRTYEADNMQC-UHFFFAOYSA-N
MW398.24 g/mol
LogP4.30
Rot. Bonds1

About 8-bromo-7-fluoro-3'-pyridin-4-ylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one

8-bromo-7-fluoro-3'-pyridin-4-ylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one (PubChem CID 146211538) has the molecular formula C19H13BrFN3O and a molecular weight of 398.24 g/mol. Its IUPAC name is 8-bromo-7-fluoro-3'-pyridin-4-ylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name8-bromo-7-fluoro-3'-pyridin-4-ylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one
PubChem CID146211538
Molecular FormulaC19H13BrFN3O
Molecular Weight398.24 g/mol
Exact Mass397.02
IUPAC Name8-bromo-7-fluoro-3'-pyridin-4-ylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one
SMILESO=C1Nc2cnc3cc(F)c(Br)cc3c2C12CC(c1ccncc1)C2
InChIInChI=1S/C19H13BrFN3O/c20-13-5-12-15(6-14(13)21)23-9-16-17(12)19(18(25)24-16)7-11(8-19)10-1-3-22-4-2-10/h1-6,9,11H,7-8H2,(H,24,25)
InChIKeyAXWVRTYEADNMQC-UHFFFAOYSA-N
XLogP4.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.24
LogP ≤ 54.30
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'-pyridin-4-ylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one?
The IUPAC name of 8-bromo-7-fluoro-3'-pyridin-4-ylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one (CID 146211538) is 8-bromo-7-fluoro-3'-pyridin-4-ylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one.
What is the SMILES notation for 8-bromo-7-fluoro-3'-pyridin-4-ylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one?
The canonical SMILES for 8-bromo-7-fluoro-3'-pyridin-4-ylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one is O=C1Nc2cnc3cc(F)c(Br)cc3c2C12CC(c1ccncc1)C2.
What is the InChIKey of 8-bromo-7-fluoro-3'-pyridin-4-ylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one?
The InChIKey is AXWVRTYEADNMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN3O/c20-13-5-12-15(6-14(13)21)23-9-16-17(12)19(18(25)24-16)7-11(8-19)10-1-3-22-4-2-10/h1-6,9,11H,7-8H2,(H,24,25).
What are the key properties of 8-bromo-7-fluoro-3'-pyridin-4-ylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one?
8-bromo-7-fluoro-3'-pyridin-4-ylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one has a molecular weight of 398.24 g/mol, XLogP of 4.30, 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'-pyridin-4-ylspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one is sourced from PubChem (CID 146211538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).