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

C22H15Br2N3O — CID 4730390

IUPAC7,9-dibromo-6-[(4-methoxyphenyl)methyl]indolo[3,2-b]quinoxaline
SMILESCOc1ccc(Cn2c3nc4ccccc4nc3c3cc(Br)cc(Br)c32)cc1
InChIInChI=1S/C22H15Br2N3O/c1-28-15-8-6-13(7-9-15)12-27-21-16(10-14(23)11-17(21)24)20-22(27)26-19-5-3-2-4-18(19)25-20/h2-11H,12H2,1H3
InChIKeyHQHPLKONSTYGQT-UHFFFAOYSA-N
MW497.19 g/mol
LogP6.32
Rot. Bonds3

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

7,9-dibromo-6-[(4-methoxyphenyl)methyl]indolo[3,2-b]quinoxaline (PubChem CID 4730390) has the molecular formula C22H15Br2N3O and a molecular weight of 497.19 g/mol. Its IUPAC name is 7,9-dibromo-6-[(4-methoxyphenyl)methyl]indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name7,9-dibromo-6-[(4-methoxyphenyl)methyl]indolo[3,2-b]quinoxaline
PubChem CID4730390
Molecular FormulaC22H15Br2N3O
Molecular Weight497.19 g/mol
Exact Mass494.96
IUPAC Name7,9-dibromo-6-[(4-methoxyphenyl)methyl]indolo[3,2-b]quinoxaline
SMILESCOc1ccc(Cn2c3nc4ccccc4nc3c3cc(Br)cc(Br)c32)cc1
InChIInChI=1S/C22H15Br2N3O/c1-28-15-8-6-13(7-9-15)12-27-21-16(10-14(23)11-17(21)24)20-22(27)26-19-5-3-2-4-18(19)25-20/h2-11H,12H2,1H3
InChIKeyHQHPLKONSTYGQT-UHFFFAOYSA-N
XLogP6.32
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.19
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7,9-dibromo-6-[(4-propan-2-yloxyphenyl)methyl]indolo[3,2-b]quinoxaline
CID 4730392
7,9-dibromo-6-[(4-methylphenyl)methyl]indolo[3,2-b]quinoxaline
CID 4730380
7,9-dibromo-6-[(4-methoxy-3-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline
CID 4730400
7,9-dibromo-6-[(4-methoxy-3-pentoxyphenyl)methyl]indolo[3,2-b]quinoxaline
CID 4730404
7,9-dibromo-6-propylindolo[3,2-b]quinoxaline
CID 4730370
7,9-dibromo-6-octylindolo[3,2-b]quinoxaline
CID 4730374
6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
CID 828074
6-ethyl-9-methoxyindolo[3,2-b]quinoxaline
CID 945804
7-methyl-6-[(4-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline
CID 2001811
1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 3982843
1-methoxypropan-2-yl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3817929
4-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline
CID 160646300

Frequently Asked Questions

What is the IUPAC name of 7,9-dibromo-6-[(4-methoxyphenyl)methyl]indolo[3,2-b]quinoxaline?
The IUPAC name of 7,9-dibromo-6-[(4-methoxyphenyl)methyl]indolo[3,2-b]quinoxaline (CID 4730390) is 7,9-dibromo-6-[(4-methoxyphenyl)methyl]indolo[3,2-b]quinoxaline.
What is the SMILES notation for 7,9-dibromo-6-[(4-methoxyphenyl)methyl]indolo[3,2-b]quinoxaline?
The canonical SMILES for 7,9-dibromo-6-[(4-methoxyphenyl)methyl]indolo[3,2-b]quinoxaline is COc1ccc(Cn2c3nc4ccccc4nc3c3cc(Br)cc(Br)c32)cc1.
What is the InChIKey of 7,9-dibromo-6-[(4-methoxyphenyl)methyl]indolo[3,2-b]quinoxaline?
The InChIKey is HQHPLKONSTYGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Br2N3O/c1-28-15-8-6-13(7-9-15)12-27-21-16(10-14(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-methoxyphenyl)methyl]indolo[3,2-b]quinoxaline?
7,9-dibromo-6-[(4-methoxyphenyl)methyl]indolo[3,2-b]quinoxaline has a molecular weight of 497.19 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dibromo-6-[(4-methoxyphenyl)methyl]indolo[3,2-b]quinoxaline is sourced from PubChem (CID 4730390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).