7,9-dibromo-6-[(4-methylphenyl)methyl]indolo[3,2-b]quinoxaline

C22H15Br2N3 — CID 4730380

IUPAC7,9-dibromo-6-[(4-methylphenyl)methyl]indolo[3,2-b]quinoxaline
SMILESCc1ccc(Cn2c3nc4ccccc4nc3c3cc(Br)cc(Br)c32)cc1
InChIInChI=1S/C22H15Br2N3/c1-13-6-8-14(9-7-13)12-27-21-16(10-15(23)11-17(21)24)20-22(27)26-19-5-3-2-4-18(19)25-20/h2-11H,12H2,1H3
InChIKeyMDMCQCGJJFOUAH-UHFFFAOYSA-N
MW481.19 g/mol
LogP6.62
Rot. Bonds2

About 7,9-dibromo-6-[(4-methylphenyl)methyl]indolo[3,2-b]quinoxaline

7,9-dibromo-6-[(4-methylphenyl)methyl]indolo[3,2-b]quinoxaline (PubChem CID 4730380) has the molecular formula C22H15Br2N3 and a molecular weight of 481.19 g/mol. Its IUPAC name is 7,9-dibromo-6-[(4-methylphenyl)methyl]indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name7,9-dibromo-6-[(4-methylphenyl)methyl]indolo[3,2-b]quinoxaline
PubChem CID4730380
Molecular FormulaC22H15Br2N3
Molecular Weight481.19 g/mol
Exact Mass478.96
IUPAC Name7,9-dibromo-6-[(4-methylphenyl)methyl]indolo[3,2-b]quinoxaline
SMILESCc1ccc(Cn2c3nc4ccccc4nc3c3cc(Br)cc(Br)c32)cc1
InChIInChI=1S/C22H15Br2N3/c1-13-6-8-14(9-7-13)12-27-21-16(10-15(23)11-17(21)24)20-22(27)26-19-5-3-2-4-18(19)25-20/h2-11H,12H2,1H3
InChIKeyMDMCQCGJJFOUAH-UHFFFAOYSA-N
XLogP6.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.19
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,9-dibromo-6-[(4-methylphenyl)methyl]indolo[3,2-b]quinoxaline?
The IUPAC name of 7,9-dibromo-6-[(4-methylphenyl)methyl]indolo[3,2-b]quinoxaline (CID 4730380) is 7,9-dibromo-6-[(4-methylphenyl)methyl]indolo[3,2-b]quinoxaline.
What is the SMILES notation for 7,9-dibromo-6-[(4-methylphenyl)methyl]indolo[3,2-b]quinoxaline?
The canonical SMILES for 7,9-dibromo-6-[(4-methylphenyl)methyl]indolo[3,2-b]quinoxaline is Cc1ccc(Cn2c3nc4ccccc4nc3c3cc(Br)cc(Br)c32)cc1.
What is the InChIKey of 7,9-dibromo-6-[(4-methylphenyl)methyl]indolo[3,2-b]quinoxaline?
The InChIKey is MDMCQCGJJFOUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Br2N3/c1-13-6-8-14(9-7-13)12-27-21-16(10-15(23)11-17(21)24)20-22(27)26-19-5-3-2-4-18(19)25-20/h2-11H,12H2,1H3.
What are the key properties of 7,9-dibromo-6-[(4-methylphenyl)methyl]indolo[3,2-b]quinoxaline?
7,9-dibromo-6-[(4-methylphenyl)methyl]indolo[3,2-b]quinoxaline has a molecular weight of 481.19 g/mol, XLogP of 6.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dibromo-6-[(4-methylphenyl)methyl]indolo[3,2-b]quinoxaline is sourced from PubChem (CID 4730380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).