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

C14H10BrFN2O2 — CID 146211674

IUPAC8'-bromo-7'-fluoro-3'-methylspiro[oxetane-3,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCN1C(=O)C2(COC2)c2c1cnc1cc(F)c(Br)cc21
InChIInChI=1S/C14H10BrFN2O2/c1-18-11-4-17-10-3-9(16)8(15)2-7(10)12(11)14(13(18)19)5-20-6-14/h2-4H,5-6H2,1H3
InChIKeyNNVUKKIGGZPYOA-UHFFFAOYSA-N
MW337.15 g/mol
LogP2.38
Rot. Bonds

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

8'-bromo-7'-fluoro-3'-methylspiro[oxetane-3,1'-pyrrolo[2,3-c]quinoline]-2'-one (PubChem CID 146211674) has the molecular formula C14H10BrFN2O2 and a molecular weight of 337.15 g/mol. Its IUPAC name is 8'-bromo-7'-fluoro-3'-methylspiro[oxetane-3,1'-pyrrolo[2,3-c]quinoline]-2'-one.

Molecular Properties

Compound Name8'-bromo-7'-fluoro-3'-methylspiro[oxetane-3,1'-pyrrolo[2,3-c]quinoline]-2'-one
PubChem CID146211674
Molecular FormulaC14H10BrFN2O2
Molecular Weight337.15 g/mol
Exact Mass335.99
IUPAC Name8'-bromo-7'-fluoro-3'-methylspiro[oxetane-3,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCN1C(=O)C2(COC2)c2c1cnc1cc(F)c(Br)cc21
InChIInChI=1S/C14H10BrFN2O2/c1-18-11-4-17-10-3-9(16)8(15)2-7(10)12(11)14(13(18)19)5-20-6-14/h2-4H,5-6H2,1H3
InChIKeyNNVUKKIGGZPYOA-UHFFFAOYSA-N
XLogP2.38
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.15
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8'-bromo-7'-fluoro-3'-methylspiro[oxetane-3,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The IUPAC name of 8'-bromo-7'-fluoro-3'-methylspiro[oxetane-3,1'-pyrrolo[2,3-c]quinoline]-2'-one (CID 146211674) is 8'-bromo-7'-fluoro-3'-methylspiro[oxetane-3,1'-pyrrolo[2,3-c]quinoline]-2'-one.
What is the SMILES notation for 8'-bromo-7'-fluoro-3'-methylspiro[oxetane-3,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The canonical SMILES for 8'-bromo-7'-fluoro-3'-methylspiro[oxetane-3,1'-pyrrolo[2,3-c]quinoline]-2'-one is CN1C(=O)C2(COC2)c2c1cnc1cc(F)c(Br)cc21.
What is the InChIKey of 8'-bromo-7'-fluoro-3'-methylspiro[oxetane-3,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The InChIKey is NNVUKKIGGZPYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2/c1-18-11-4-17-10-3-9(16)8(15)2-7(10)12(11)14(13(18)19)5-20-6-14/h2-4H,5-6H2,1H3.
What are the key properties of 8'-bromo-7'-fluoro-3'-methylspiro[oxetane-3,1'-pyrrolo[2,3-c]quinoline]-2'-one?
8'-bromo-7'-fluoro-3'-methylspiro[oxetane-3,1'-pyrrolo[2,3-c]quinoline]-2'-one has a molecular weight of 337.15 g/mol, XLogP of 2.38, 0 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'-methylspiro[oxetane-3,1'-pyrrolo[2,3-c]quinoline]-2'-one is sourced from PubChem (CID 146211674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).