8'-bromo-7'-fluoro-3'-methyl-1-(1-methylpiperidin-4-yl)spiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one

C20H22BrFN4O — CID 165373959

IUPAC8'-bromo-7'-fluoro-3'-methyl-1-(1-methylpiperidin-4-yl)spiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCN1CCC(N2CC3(C2)C(=O)N(C)c2cnc4cc(F)c(Br)cc4c23)CC1
InChIInChI=1S/C20H22BrFN4O/c1-24-5-3-12(4-6-24)26-10-20(11-26)18-13-7-14(21)15(22)8-16(13)23-9-17(18)25(2)19(20)27/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeyDKBYBEZDHICLIZ-UHFFFAOYSA-N
MW433.33 g/mol
LogP2.76
Rot. Bonds1

About 8'-bromo-7'-fluoro-3'-methyl-1-(1-methylpiperidin-4-yl)spiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one

8'-bromo-7'-fluoro-3'-methyl-1-(1-methylpiperidin-4-yl)spiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one (PubChem CID 165373959) has the molecular formula C20H22BrFN4O and a molecular weight of 433.33 g/mol. Its IUPAC name is 8'-bromo-7'-fluoro-3'-methyl-1-(1-methylpiperidin-4-yl)spiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one.

Molecular Properties

Compound Name8'-bromo-7'-fluoro-3'-methyl-1-(1-methylpiperidin-4-yl)spiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one
PubChem CID165373959
Molecular FormulaC20H22BrFN4O
Molecular Weight433.33 g/mol
Exact Mass432.10
IUPAC Name8'-bromo-7'-fluoro-3'-methyl-1-(1-methylpiperidin-4-yl)spiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCN1CCC(N2CC3(C2)C(=O)N(C)c2cnc4cc(F)c(Br)cc4c23)CC1
InChIInChI=1S/C20H22BrFN4O/c1-24-5-3-12(4-6-24)26-10-20(11-26)18-13-7-14(21)15(22)8-16(13)23-9-17(18)25(2)19(20)27/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeyDKBYBEZDHICLIZ-UHFFFAOYSA-N
XLogP2.76
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8'-bromo-7'-fluoro-3'-methyl-1-(1-methylpiperidin-4-yl)spiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The IUPAC name of 8'-bromo-7'-fluoro-3'-methyl-1-(1-methylpiperidin-4-yl)spiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one (CID 165373959) is 8'-bromo-7'-fluoro-3'-methyl-1-(1-methylpiperidin-4-yl)spiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one.
What is the SMILES notation for 8'-bromo-7'-fluoro-3'-methyl-1-(1-methylpiperidin-4-yl)spiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The canonical SMILES for 8'-bromo-7'-fluoro-3'-methyl-1-(1-methylpiperidin-4-yl)spiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one is CN1CCC(N2CC3(C2)C(=O)N(C)c2cnc4cc(F)c(Br)cc4c23)CC1.
What is the InChIKey of 8'-bromo-7'-fluoro-3'-methyl-1-(1-methylpiperidin-4-yl)spiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The InChIKey is DKBYBEZDHICLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrFN4O/c1-24-5-3-12(4-6-24)26-10-20(11-26)18-13-7-14(21)15(22)8-16(13)23-9-17(18)25(2)19(20)27/h7-9,12H,3-6,10-11H2,1-2H3.
What are the key properties of 8'-bromo-7'-fluoro-3'-methyl-1-(1-methylpiperidin-4-yl)spiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one?
8'-bromo-7'-fluoro-3'-methyl-1-(1-methylpiperidin-4-yl)spiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one has a molecular weight of 433.33 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-bromo-7'-fluoro-3'-methyl-1-(1-methylpiperidin-4-yl)spiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one is sourced from PubChem (CID 165373959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).