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

C18H18BrFN2O2 — CID 146212590

IUPAC8'-bromo-3-(ethoxymethyl)-7'-fluoro-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCCOCC1CC2(C1)C(=O)N(C)c1cnc3cc(F)c(Br)cc3c12
InChIInChI=1S/C18H18BrFN2O2/c1-3-24-9-10-6-18(7-10)16-11-4-12(19)13(20)5-14(11)21-8-15(16)22(2)17(18)23/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyQMCAZBZYODFBAU-UHFFFAOYSA-N
MW393.26 g/mol
LogP3.80
Rot. Bonds3

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

8'-bromo-3-(ethoxymethyl)-7'-fluoro-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one (PubChem CID 146212590) has the molecular formula C18H18BrFN2O2 and a molecular weight of 393.26 g/mol. Its IUPAC name is 8'-bromo-3-(ethoxymethyl)-7'-fluoro-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one.

Molecular Properties

Compound Name8'-bromo-3-(ethoxymethyl)-7'-fluoro-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
PubChem CID146212590
Molecular FormulaC18H18BrFN2O2
Molecular Weight393.26 g/mol
Exact Mass392.05
IUPAC Name8'-bromo-3-(ethoxymethyl)-7'-fluoro-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCCOCC1CC2(C1)C(=O)N(C)c1cnc3cc(F)c(Br)cc3c12
InChIInChI=1S/C18H18BrFN2O2/c1-3-24-9-10-6-18(7-10)16-11-4-12(19)13(20)5-14(11)21-8-15(16)22(2)17(18)23/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyQMCAZBZYODFBAU-UHFFFAOYSA-N
XLogP3.80
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8'-bromo-3-(ethoxymethyl)-7'-fluoro-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The IUPAC name of 8'-bromo-3-(ethoxymethyl)-7'-fluoro-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one (CID 146212590) is 8'-bromo-3-(ethoxymethyl)-7'-fluoro-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one.
What is the SMILES notation for 8'-bromo-3-(ethoxymethyl)-7'-fluoro-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The canonical SMILES for 8'-bromo-3-(ethoxymethyl)-7'-fluoro-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one is CCOCC1CC2(C1)C(=O)N(C)c1cnc3cc(F)c(Br)cc3c12.
What is the InChIKey of 8'-bromo-3-(ethoxymethyl)-7'-fluoro-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The InChIKey is QMCAZBZYODFBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O2/c1-3-24-9-10-6-18(7-10)16-11-4-12(19)13(20)5-14(11)21-8-15(16)22(2)17(18)23/h4-5,8,10H,3,6-7,9H2,1-2H3.
What are the key properties of 8'-bromo-3-(ethoxymethyl)-7'-fluoro-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
8'-bromo-3-(ethoxymethyl)-7'-fluoro-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one has a molecular weight of 393.26 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-bromo-3-(ethoxymethyl)-7'-fluoro-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one is sourced from PubChem (CID 146212590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).