8'-bromo-3',7'-dimethylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one

C16H15BrN2O — CID 146212141

IUPAC8'-bromo-3',7'-dimethylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCc1cc2ncc3c(c2cc1Br)C1(CCC1)C(=O)N3C
InChIInChI=1S/C16H15BrN2O/c1-9-6-12-10(7-11(9)17)14-13(8-18-12)19(2)15(20)16(14)4-3-5-16/h6-8H,3-5H2,1-2H3
InChIKeyXGOLSMFOXZXACU-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.70
Rot. Bonds

About 8'-bromo-3',7'-dimethylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one

8'-bromo-3',7'-dimethylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one (PubChem CID 146212141) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 8'-bromo-3',7'-dimethylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one.

Molecular Properties

Compound Name8'-bromo-3',7'-dimethylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
PubChem CID146212141
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name8'-bromo-3',7'-dimethylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCc1cc2ncc3c(c2cc1Br)C1(CCC1)C(=O)N3C
InChIInChI=1S/C16H15BrN2O/c1-9-6-12-10(7-11(9)17)14-13(8-18-12)19(2)15(20)16(14)4-3-5-16/h6-8H,3-5H2,1-2H3
InChIKeyXGOLSMFOXZXACU-UHFFFAOYSA-N
XLogP3.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8'-bromo-3',7'-dimethylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The IUPAC name of 8'-bromo-3',7'-dimethylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one (CID 146212141) is 8'-bromo-3',7'-dimethylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one.
What is the SMILES notation for 8'-bromo-3',7'-dimethylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The canonical SMILES for 8'-bromo-3',7'-dimethylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one is Cc1cc2ncc3c(c2cc1Br)C1(CCC1)C(=O)N3C.
What is the InChIKey of 8'-bromo-3',7'-dimethylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The InChIKey is XGOLSMFOXZXACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-9-6-12-10(7-11(9)17)14-13(8-18-12)19(2)15(20)16(14)4-3-5-16/h6-8H,3-5H2,1-2H3.
What are the key properties of 8'-bromo-3',7'-dimethylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
8'-bromo-3',7'-dimethylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one has a molecular weight of 331.21 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-bromo-3',7'-dimethylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one is sourced from PubChem (CID 146212141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).