1-(4-bromophenyl)-2-(11-hydroxyindeno[1,2-b]quinoxalin-11-yl)ethanone

C23H15BrN2O2 — CID 122186882

IUPAC1-(4-bromophenyl)-2-(11-hydroxyindeno[1,2-b]quinoxalin-11-yl)ethanone
SMILESO=C(CC1(O)c2ccccc2-c2nc3ccccc3nc21)c1ccc(Br)cc1
InChIInChI=1S/C23H15BrN2O2/c24-15-11-9-14(10-12-15)20(27)13-23(28)17-6-2-1-5-16(17)21-22(23)26-19-8-4-3-7-18(19)25-21/h1-12,28H,13H2
InChIKeyOBHDCHGTVOUIHQ-UHFFFAOYSA-N
MW431.29 g/mol
LogP4.88
Rot. Bonds3

About 1-(4-bromophenyl)-2-(11-hydroxyindeno[1,2-b]quinoxalin-11-yl)ethanone

1-(4-bromophenyl)-2-(11-hydroxyindeno[1,2-b]quinoxalin-11-yl)ethanone (PubChem CID 122186882) has the molecular formula C23H15BrN2O2 and a molecular weight of 431.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(11-hydroxyindeno[1,2-b]quinoxalin-11-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(11-hydroxyindeno[1,2-b]quinoxalin-11-yl)ethanone
PubChem CID122186882
Molecular FormulaC23H15BrN2O2
Molecular Weight431.29 g/mol
Exact Mass430.03
IUPAC Name1-(4-bromophenyl)-2-(11-hydroxyindeno[1,2-b]quinoxalin-11-yl)ethanone
SMILESO=C(CC1(O)c2ccccc2-c2nc3ccccc3nc21)c1ccc(Br)cc1
InChIInChI=1S/C23H15BrN2O2/c24-15-11-9-14(10-12-15)20(27)13-23(28)17-6-2-1-5-16(17)21-22(23)26-19-8-4-3-7-18(19)25-21/h1-12,28H,13H2
InChIKeyOBHDCHGTVOUIHQ-UHFFFAOYSA-N
XLogP4.88
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(11-hydroxyindeno[1,2-b]quinoxalin-11-yl)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(11-hydroxyindeno[1,2-b]quinoxalin-11-yl)ethanone (CID 122186882) is 1-(4-bromophenyl)-2-(11-hydroxyindeno[1,2-b]quinoxalin-11-yl)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(11-hydroxyindeno[1,2-b]quinoxalin-11-yl)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(11-hydroxyindeno[1,2-b]quinoxalin-11-yl)ethanone is O=C(CC1(O)c2ccccc2-c2nc3ccccc3nc21)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(11-hydroxyindeno[1,2-b]quinoxalin-11-yl)ethanone?
The InChIKey is OBHDCHGTVOUIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrN2O2/c24-15-11-9-14(10-12-15)20(27)13-23(28)17-6-2-1-5-16(17)21-22(23)26-19-8-4-3-7-18(19)25-21/h1-12,28H,13H2.
What are the key properties of 1-(4-bromophenyl)-2-(11-hydroxyindeno[1,2-b]quinoxalin-11-yl)ethanone?
1-(4-bromophenyl)-2-(11-hydroxyindeno[1,2-b]quinoxalin-11-yl)ethanone has a molecular weight of 431.29 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(11-hydroxyindeno[1,2-b]quinoxalin-11-yl)ethanone is sourced from PubChem (CID 122186882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).