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

C18H15N3O2 — CID 753387

IUPACmethyl 2-(9-methylindolo[3,2-b]quinoxalin-6-yl)acetate
SMILESCOC(=O)Cn1c2ccc(C)cc2c2nc3ccccc3nc21
InChIInChI=1S/C18H15N3O2/c1-11-7-8-15-12(9-11)17-18(21(15)10-16(22)23-2)20-14-6-4-3-5-13(14)19-17/h3-9H,10H2,1-2H3
InChIKeyYXRAIEJHHPRBQI-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.22
Rot. Bonds2

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

methyl 2-(9-methylindolo[3,2-b]quinoxalin-6-yl)acetate (PubChem CID 753387) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is methyl 2-(9-methylindolo[3,2-b]quinoxalin-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(9-methylindolo[3,2-b]quinoxalin-6-yl)acetate
PubChem CID753387
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Namemethyl 2-(9-methylindolo[3,2-b]quinoxalin-6-yl)acetate
SMILESCOC(=O)Cn1c2ccc(C)cc2c2nc3ccccc3nc21
InChIInChI=1S/C18H15N3O2/c1-11-7-8-15-12(9-11)17-18(21(15)10-16(22)23-2)20-14-6-4-3-5-13(14)19-17/h3-9H,10H2,1-2H3
InChIKeyYXRAIEJHHPRBQI-UHFFFAOYSA-N
XLogP3.22
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(9-methylindolo[3,2-b]quinoxalin-6-yl)acetate?
The IUPAC name of methyl 2-(9-methylindolo[3,2-b]quinoxalin-6-yl)acetate (CID 753387) is methyl 2-(9-methylindolo[3,2-b]quinoxalin-6-yl)acetate.
What is the SMILES notation for methyl 2-(9-methylindolo[3,2-b]quinoxalin-6-yl)acetate?
The canonical SMILES for methyl 2-(9-methylindolo[3,2-b]quinoxalin-6-yl)acetate is COC(=O)Cn1c2ccc(C)cc2c2nc3ccccc3nc21.
What is the InChIKey of methyl 2-(9-methylindolo[3,2-b]quinoxalin-6-yl)acetate?
The InChIKey is YXRAIEJHHPRBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-11-7-8-15-12(9-11)17-18(21(15)10-16(22)23-2)20-14-6-4-3-5-13(14)19-17/h3-9H,10H2,1-2H3.
What are the key properties of methyl 2-(9-methylindolo[3,2-b]quinoxalin-6-yl)acetate?
methyl 2-(9-methylindolo[3,2-b]quinoxalin-6-yl)acetate has a molecular weight of 305.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(9-methylindolo[3,2-b]quinoxalin-6-yl)acetate is sourced from PubChem (CID 753387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).