8'-bromo-7'-fluoro-1-(2-methoxyphenyl)-3'-methylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one

C21H17BrFN3O2 — CID 146211524

IUPAC8'-bromo-7'-fluoro-1-(2-methoxyphenyl)-3'-methylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCOc1ccccc1N1CC2(C1)C(=O)N(C)c1cnc3cc(F)c(Br)cc3c12
InChIInChI=1S/C21H17BrFN3O2/c1-25-17-9-24-15-8-14(23)13(22)7-12(15)19(17)21(20(25)27)10-26(11-21)16-5-3-4-6-18(16)28-2/h3-9H,10-11H2,1-2H3
InChIKeyQZZRUQDAYGYIRV-UHFFFAOYSA-N
MW442.29 g/mol
LogP3.88
Rot. Bonds2

About 8'-bromo-7'-fluoro-1-(2-methoxyphenyl)-3'-methylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one

8'-bromo-7'-fluoro-1-(2-methoxyphenyl)-3'-methylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one (PubChem CID 146211524) has the molecular formula C21H17BrFN3O2 and a molecular weight of 442.29 g/mol. Its IUPAC name is 8'-bromo-7'-fluoro-1-(2-methoxyphenyl)-3'-methylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one.

Molecular Properties

Compound Name8'-bromo-7'-fluoro-1-(2-methoxyphenyl)-3'-methylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one
PubChem CID146211524
Molecular FormulaC21H17BrFN3O2
Molecular Weight442.29 g/mol
Exact Mass441.05
IUPAC Name8'-bromo-7'-fluoro-1-(2-methoxyphenyl)-3'-methylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCOc1ccccc1N1CC2(C1)C(=O)N(C)c1cnc3cc(F)c(Br)cc3c12
InChIInChI=1S/C21H17BrFN3O2/c1-25-17-9-24-15-8-14(23)13(22)7-12(15)19(17)21(20(25)27)10-26(11-21)16-5-3-4-6-18(16)28-2/h3-9H,10-11H2,1-2H3
InChIKeyQZZRUQDAYGYIRV-UHFFFAOYSA-N
XLogP3.88
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.29
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-Ethylindol-3-yl)-3-(4-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 45956549
8-bromo-6-fluoro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 134508233
8-bromo-7-fluoro-3'-(2-methoxy-4-pyridinyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one
CID 146211533
8-bromo-7-fluoro-3'-(4-methoxyphenyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one
CID 146211534
8-bromo-7-fluoro-3'-(6-methoxy-3-pyridinyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one
CID 146211535
8-bromo-7-fluoro-3'-(6-methoxy-2-pyridinyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one
CID 146211536
8'-Bromo-7'-fluoro-1-(4-methoxyphenyl)-3'-methylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one
CID 146212087
8'-Bromo-7'-fluoro-1-(3-methoxyphenyl)-3'-methylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one
CID 146212090
8'-Bromo-7'-fluoro-1-[4-(methoxymethyl)phenyl]-3'-methylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one
CID 146212091
8-bromo-7-fluoro-3'-phenoxyspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one
CID 146212111
8'-Bromo-7'-fluoro-3'-methyl-3-phenoxyspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
CID 146212112
8'-Bromo-7'-fluoro-3-(2-methoxy-4-pyridinyl)-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
CID 146212130

Frequently Asked Questions

What is the IUPAC name of 8'-bromo-7'-fluoro-1-(2-methoxyphenyl)-3'-methylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The IUPAC name of 8'-bromo-7'-fluoro-1-(2-methoxyphenyl)-3'-methylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one (CID 146211524) is 8'-bromo-7'-fluoro-1-(2-methoxyphenyl)-3'-methylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one.
What is the SMILES notation for 8'-bromo-7'-fluoro-1-(2-methoxyphenyl)-3'-methylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The canonical SMILES for 8'-bromo-7'-fluoro-1-(2-methoxyphenyl)-3'-methylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one is COc1ccccc1N1CC2(C1)C(=O)N(C)c1cnc3cc(F)c(Br)cc3c12.
What is the InChIKey of 8'-bromo-7'-fluoro-1-(2-methoxyphenyl)-3'-methylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The InChIKey is QZZRUQDAYGYIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrFN3O2/c1-25-17-9-24-15-8-14(23)13(22)7-12(15)19(17)21(20(25)27)10-26(11-21)16-5-3-4-6-18(16)28-2/h3-9H,10-11H2,1-2H3.
What are the key properties of 8'-bromo-7'-fluoro-1-(2-methoxyphenyl)-3'-methylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one?
8'-bromo-7'-fluoro-1-(2-methoxyphenyl)-3'-methylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one has a molecular weight of 442.29 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-bromo-7'-fluoro-1-(2-methoxyphenyl)-3'-methylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one is sourced from PubChem (CID 146211524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).