methyl 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetate

C17H12ClN3O2 — CID 891185

IUPACmethyl 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetate
SMILESCOC(=O)Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21
InChIInChI=1S/C17H12ClN3O2/c1-23-15(22)9-21-14-7-6-10(18)8-11(14)16-17(21)20-13-5-3-2-4-12(13)19-16/h2-8H,9H2,1H3
InChIKeyQFAVWFRRFDMBRT-UHFFFAOYSA-N
MW325.76 g/mol
LogP3.56
Rot. Bonds2

About methyl 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetate

methyl 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetate (PubChem CID 891185) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is methyl 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetate
PubChem CID891185
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC Namemethyl 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetate
SMILESCOC(=O)Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21
InChIInChI=1S/C17H12ClN3O2/c1-23-15(22)9-21-14-7-6-10(18)8-11(14)16-17(21)20-13-5-3-2-4-12(13)19-16/h2-8H,9H2,1H3
InChIKeyQFAVWFRRFDMBRT-UHFFFAOYSA-N
XLogP3.56
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetate?
The IUPAC name of methyl 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetate (CID 891185) is methyl 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetate.
What is the SMILES notation for methyl 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetate?
The canonical SMILES for methyl 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetate is COC(=O)Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21.
What is the InChIKey of methyl 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetate?
The InChIKey is QFAVWFRRFDMBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c1-23-15(22)9-21-14-7-6-10(18)8-11(14)16-17(21)20-13-5-3-2-4-12(13)19-16/h2-8H,9H2,1H3.
What are the key properties of methyl 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetate?
methyl 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetate has a molecular weight of 325.76 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetate is sourced from PubChem (CID 891185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).