9-methoxy-6-[[2-(3-methylbutoxy)phenyl]methyl]indolo[3,2-b]quinoxaline

C27H27N3O2 — CID 2026226

IUPAC9-methoxy-6-[[2-(3-methylbutoxy)phenyl]methyl]indolo[3,2-b]quinoxaline
SMILESCOc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1OCCC(C)C
InChIInChI=1S/C27H27N3O2/c1-18(2)14-15-32-25-11-7-4-8-19(25)17-30-24-13-12-20(31-3)16-21(24)26-27(30)29-23-10-6-5-9-22(23)28-26/h4-13,16,18H,14-15,17H2,1-3H3
InChIKeyDLWHFPVTXDDJQD-UHFFFAOYSA-N
MW425.53 g/mol
LogP6.22
Rot. Bonds7

About 9-methoxy-6-[[2-(3-methylbutoxy)phenyl]methyl]indolo[3,2-b]quinoxaline

9-methoxy-6-[[2-(3-methylbutoxy)phenyl]methyl]indolo[3,2-b]quinoxaline (PubChem CID 2026226) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 9-methoxy-6-[[2-(3-methylbutoxy)phenyl]methyl]indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name9-methoxy-6-[[2-(3-methylbutoxy)phenyl]methyl]indolo[3,2-b]quinoxaline
PubChem CID2026226
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name9-methoxy-6-[[2-(3-methylbutoxy)phenyl]methyl]indolo[3,2-b]quinoxaline
SMILESCOc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1OCCC(C)C
InChIInChI=1S/C27H27N3O2/c1-18(2)14-15-32-25-11-7-4-8-19(25)17-30-24-13-12-20(31-3)16-21(24)26-27(30)29-23-10-6-5-9-22(23)28-26/h4-13,16,18H,14-15,17H2,1-3H3
InChIKeyDLWHFPVTXDDJQD-UHFFFAOYSA-N
XLogP6.22
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6-[[2-(3-methylbutoxy)phenyl]methyl]indolo[3,2-b]quinoxaline?
The IUPAC name of 9-methoxy-6-[[2-(3-methylbutoxy)phenyl]methyl]indolo[3,2-b]quinoxaline (CID 2026226) is 9-methoxy-6-[[2-(3-methylbutoxy)phenyl]methyl]indolo[3,2-b]quinoxaline.
What is the SMILES notation for 9-methoxy-6-[[2-(3-methylbutoxy)phenyl]methyl]indolo[3,2-b]quinoxaline?
The canonical SMILES for 9-methoxy-6-[[2-(3-methylbutoxy)phenyl]methyl]indolo[3,2-b]quinoxaline is COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1OCCC(C)C.
What is the InChIKey of 9-methoxy-6-[[2-(3-methylbutoxy)phenyl]methyl]indolo[3,2-b]quinoxaline?
The InChIKey is DLWHFPVTXDDJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-18(2)14-15-32-25-11-7-4-8-19(25)17-30-24-13-12-20(31-3)16-21(24)26-27(30)29-23-10-6-5-9-22(23)28-26/h4-13,16,18H,14-15,17H2,1-3H3.
What are the key properties of 9-methoxy-6-[[2-(3-methylbutoxy)phenyl]methyl]indolo[3,2-b]quinoxaline?
9-methoxy-6-[[2-(3-methylbutoxy)phenyl]methyl]indolo[3,2-b]quinoxaline has a molecular weight of 425.53 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-6-[[2-(3-methylbutoxy)phenyl]methyl]indolo[3,2-b]quinoxaline is sourced from PubChem (CID 2026226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).