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

C25H21Br2N3O2 — CID 4730400

IUPAC7,9-dibromo-6-[(4-methoxy-3-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline
SMILESCCCOc1cc(Cn2c3nc4ccccc4nc3c3cc(Br)cc(Br)c32)ccc1OC
InChIInChI=1S/C25H21Br2N3O2/c1-3-10-32-22-11-15(8-9-21(22)31-2)14-30-24-17(12-16(26)13-18(24)27)23-25(30)29-20-7-5-4-6-19(20)28-23/h4-9,11-13H,3,10,14H2,1-2H3
InChIKeyFZFJXXKCJZVTGK-UHFFFAOYSA-N
MW555.27 g/mol
LogP7.11
Rot. Bonds6

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

7,9-dibromo-6-[(4-methoxy-3-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline (PubChem CID 4730400) has the molecular formula C25H21Br2N3O2 and a molecular weight of 555.27 g/mol. Its IUPAC name is 7,9-dibromo-6-[(4-methoxy-3-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name7,9-dibromo-6-[(4-methoxy-3-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline
PubChem CID4730400
Molecular FormulaC25H21Br2N3O2
Molecular Weight555.27 g/mol
Exact Mass553.00
IUPAC Name7,9-dibromo-6-[(4-methoxy-3-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline
SMILESCCCOc1cc(Cn2c3nc4ccccc4nc3c3cc(Br)cc(Br)c32)ccc1OC
InChIInChI=1S/C25H21Br2N3O2/c1-3-10-32-22-11-15(8-9-21(22)31-2)14-30-24-17(12-16(26)13-18(24)27)23-25(30)29-20-7-5-4-6-19(20)28-23/h4-9,11-13H,3,10,14H2,1-2H3
InChIKeyFZFJXXKCJZVTGK-UHFFFAOYSA-N
XLogP7.11
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.27
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,9-dibromo-6-[(4-methoxy-3-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline?
The IUPAC name of 7,9-dibromo-6-[(4-methoxy-3-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline (CID 4730400) is 7,9-dibromo-6-[(4-methoxy-3-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline.
What is the SMILES notation for 7,9-dibromo-6-[(4-methoxy-3-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline?
The canonical SMILES for 7,9-dibromo-6-[(4-methoxy-3-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline is CCCOc1cc(Cn2c3nc4ccccc4nc3c3cc(Br)cc(Br)c32)ccc1OC.
What is the InChIKey of 7,9-dibromo-6-[(4-methoxy-3-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline?
The InChIKey is FZFJXXKCJZVTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Br2N3O2/c1-3-10-32-22-11-15(8-9-21(22)31-2)14-30-24-17(12-16(26)13-18(24)27)23-25(30)29-20-7-5-4-6-19(20)28-23/h4-9,11-13H,3,10,14H2,1-2H3.
What are the key properties of 7,9-dibromo-6-[(4-methoxy-3-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline?
7,9-dibromo-6-[(4-methoxy-3-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline has a molecular weight of 555.27 g/mol, XLogP of 7.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dibromo-6-[(4-methoxy-3-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline is sourced from PubChem (CID 4730400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).