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

C24H19Br2N3O — CID 4730392

IUPAC7,9-dibromo-6-[(4-propan-2-yloxyphenyl)methyl]indolo[3,2-b]quinoxaline
SMILESCC(C)Oc1ccc(Cn2c3nc4ccccc4nc3c3cc(Br)cc(Br)c32)cc1
InChIInChI=1S/C24H19Br2N3O/c1-14(2)30-17-9-7-15(8-10-17)13-29-23-18(11-16(25)12-19(23)26)22-24(29)28-21-6-4-3-5-20(21)27-22/h3-12,14H,13H2,1-2H3
InChIKeyXJXLLKCDRIDPNJ-UHFFFAOYSA-N
MW525.24 g/mol
LogP7.10
Rot. Bonds4

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

7,9-dibromo-6-[(4-propan-2-yloxyphenyl)methyl]indolo[3,2-b]quinoxaline (PubChem CID 4730392) has the molecular formula C24H19Br2N3O and a molecular weight of 525.24 g/mol. Its IUPAC name is 7,9-dibromo-6-[(4-propan-2-yloxyphenyl)methyl]indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name7,9-dibromo-6-[(4-propan-2-yloxyphenyl)methyl]indolo[3,2-b]quinoxaline
PubChem CID4730392
Molecular FormulaC24H19Br2N3O
Molecular Weight525.24 g/mol
Exact Mass522.99
IUPAC Name7,9-dibromo-6-[(4-propan-2-yloxyphenyl)methyl]indolo[3,2-b]quinoxaline
SMILESCC(C)Oc1ccc(Cn2c3nc4ccccc4nc3c3cc(Br)cc(Br)c32)cc1
InChIInChI=1S/C24H19Br2N3O/c1-14(2)30-17-9-7-15(8-10-17)13-29-23-18(11-16(25)12-19(23)26)22-24(29)28-21-6-4-3-5-20(21)27-22/h3-12,14H,13H2,1-2H3
InChIKeyXJXLLKCDRIDPNJ-UHFFFAOYSA-N
XLogP7.10
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.24
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,9-dibromo-6-[(4-propan-2-yloxyphenyl)methyl]indolo[3,2-b]quinoxaline?
The IUPAC name of 7,9-dibromo-6-[(4-propan-2-yloxyphenyl)methyl]indolo[3,2-b]quinoxaline (CID 4730392) is 7,9-dibromo-6-[(4-propan-2-yloxyphenyl)methyl]indolo[3,2-b]quinoxaline.
What is the SMILES notation for 7,9-dibromo-6-[(4-propan-2-yloxyphenyl)methyl]indolo[3,2-b]quinoxaline?
The canonical SMILES for 7,9-dibromo-6-[(4-propan-2-yloxyphenyl)methyl]indolo[3,2-b]quinoxaline is CC(C)Oc1ccc(Cn2c3nc4ccccc4nc3c3cc(Br)cc(Br)c32)cc1.
What is the InChIKey of 7,9-dibromo-6-[(4-propan-2-yloxyphenyl)methyl]indolo[3,2-b]quinoxaline?
The InChIKey is XJXLLKCDRIDPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Br2N3O/c1-14(2)30-17-9-7-15(8-10-17)13-29-23-18(11-16(25)12-19(23)26)22-24(29)28-21-6-4-3-5-20(21)27-22/h3-12,14H,13H2,1-2H3.
What are the key properties of 7,9-dibromo-6-[(4-propan-2-yloxyphenyl)methyl]indolo[3,2-b]quinoxaline?
7,9-dibromo-6-[(4-propan-2-yloxyphenyl)methyl]indolo[3,2-b]quinoxaline has a molecular weight of 525.24 g/mol, XLogP of 7.10, 4 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-propan-2-yloxyphenyl)methyl]indolo[3,2-b]quinoxaline is sourced from PubChem (CID 4730392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).