6-benzyl-9-methylindolo[3,2-b]quinoxaline

C22H17N3 — CID 753384

IUPAC6-benzyl-9-methylindolo[3,2-b]quinoxaline
SMILESCc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1
InChIInChI=1S/C22H17N3/c1-15-11-12-20-17(13-15)21-22(24-19-10-6-5-9-18(19)23-21)25(20)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKeyLVXPELXVRFOFKQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.09
Rot. Bonds2

About 6-benzyl-9-methylindolo[3,2-b]quinoxaline

6-benzyl-9-methylindolo[3,2-b]quinoxaline (PubChem CID 753384) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-benzyl-9-methylindolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name6-benzyl-9-methylindolo[3,2-b]quinoxaline
PubChem CID753384
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC Name6-benzyl-9-methylindolo[3,2-b]quinoxaline
SMILESCc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1
InChIInChI=1S/C22H17N3/c1-15-11-12-20-17(13-15)21-22(24-19-10-6-5-9-18(19)23-21)25(20)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKeyLVXPELXVRFOFKQ-UHFFFAOYSA-N
XLogP5.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-9-methylindolo[3,2-b]quinoxaline?
The IUPAC name of 6-benzyl-9-methylindolo[3,2-b]quinoxaline (CID 753384) is 6-benzyl-9-methylindolo[3,2-b]quinoxaline.
What is the SMILES notation for 6-benzyl-9-methylindolo[3,2-b]quinoxaline?
The canonical SMILES for 6-benzyl-9-methylindolo[3,2-b]quinoxaline is Cc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1.
What is the InChIKey of 6-benzyl-9-methylindolo[3,2-b]quinoxaline?
The InChIKey is LVXPELXVRFOFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3/c1-15-11-12-20-17(13-15)21-22(24-19-10-6-5-9-18(19)23-21)25(20)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3.
What are the key properties of 6-benzyl-9-methylindolo[3,2-b]quinoxaline?
6-benzyl-9-methylindolo[3,2-b]quinoxaline has a molecular weight of 323.40 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-9-methylindolo[3,2-b]quinoxaline is sourced from PubChem (CID 753384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).