1-(2,7-dibromoindolo[3,2-b]quinolin-10-yl)ethanone

C17H10Br2N2O — CID 23248800

IUPAC1-(2,7-dibromoindolo[3,2-b]quinolin-10-yl)ethanone
SMILESCC(=O)n1c2ccc(Br)cc2c2nc3ccc(Br)cc3cc21
InChIInChI=1S/C17H10Br2N2O/c1-9(22)21-15-5-3-12(19)8-13(15)17-16(21)7-10-6-11(18)2-4-14(10)20-17/h2-8H,1H3
InChIKeyGIIFHINYKQZVAD-UHFFFAOYSA-N
MW418.09 g/mol
LogP5.53
Rot. Bonds

About 1-(2,7-dibromoindolo[3,2-b]quinolin-10-yl)ethanone

1-(2,7-dibromoindolo[3,2-b]quinolin-10-yl)ethanone (PubChem CID 23248800) has the molecular formula C17H10Br2N2O and a molecular weight of 418.09 g/mol. Its IUPAC name is 1-(2,7-dibromoindolo[3,2-b]quinolin-10-yl)ethanone.

Molecular Properties

Compound Name1-(2,7-dibromoindolo[3,2-b]quinolin-10-yl)ethanone
PubChem CID23248800
Molecular FormulaC17H10Br2N2O
Molecular Weight418.09 g/mol
Exact Mass415.92
IUPAC Name1-(2,7-dibromoindolo[3,2-b]quinolin-10-yl)ethanone
SMILESCC(=O)n1c2ccc(Br)cc2c2nc3ccc(Br)cc3cc21
InChIInChI=1S/C17H10Br2N2O/c1-9(22)21-15-5-3-12(19)8-13(15)17-16(21)7-10-6-11(18)2-4-14(10)20-17/h2-8H,1H3
InChIKeyGIIFHINYKQZVAD-UHFFFAOYSA-N
XLogP5.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.09
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dibromoindolo[3,2-b]quinolin-10-yl)ethanone?
The IUPAC name of 1-(2,7-dibromoindolo[3,2-b]quinolin-10-yl)ethanone (CID 23248800) is 1-(2,7-dibromoindolo[3,2-b]quinolin-10-yl)ethanone.
What is the SMILES notation for 1-(2,7-dibromoindolo[3,2-b]quinolin-10-yl)ethanone?
The canonical SMILES for 1-(2,7-dibromoindolo[3,2-b]quinolin-10-yl)ethanone is CC(=O)n1c2ccc(Br)cc2c2nc3ccc(Br)cc3cc21.
What is the InChIKey of 1-(2,7-dibromoindolo[3,2-b]quinolin-10-yl)ethanone?
The InChIKey is GIIFHINYKQZVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br2N2O/c1-9(22)21-15-5-3-12(19)8-13(15)17-16(21)7-10-6-11(18)2-4-14(10)20-17/h2-8H,1H3.
What are the key properties of 1-(2,7-dibromoindolo[3,2-b]quinolin-10-yl)ethanone?
1-(2,7-dibromoindolo[3,2-b]quinolin-10-yl)ethanone has a molecular weight of 418.09 g/mol, XLogP of 5.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dibromoindolo[3,2-b]quinolin-10-yl)ethanone is sourced from PubChem (CID 23248800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).