3-(2-methyl-1H-indol-3-yl)-1H-quinoxalin-2-one

C17H13N3O — CID 7996543

IUPAC3-(2-methyl-1H-indol-3-yl)-1H-quinoxalin-2-one
SMILESCc1[nH]c2ccccc2c1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C17H13N3O/c1-10-15(11-6-2-3-7-12(11)18-10)16-17(21)20-14-9-5-4-8-13(14)19-16/h2-9,18H,1H3,(H,20,21)
InChIKeyDBPQHSFKRHQMMY-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.38
Rot. Bonds1

About 3-(2-methyl-1H-indol-3-yl)-1H-quinoxalin-2-one

3-(2-methyl-1H-indol-3-yl)-1H-quinoxalin-2-one (PubChem CID 7996543) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(2-methyl-1H-indol-3-yl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(2-methyl-1H-indol-3-yl)-1H-quinoxalin-2-one
PubChem CID7996543
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name3-(2-methyl-1H-indol-3-yl)-1H-quinoxalin-2-one
SMILESCc1[nH]c2ccccc2c1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C17H13N3O/c1-10-15(11-6-2-3-7-12(11)18-10)16-17(21)20-14-9-5-4-8-13(14)19-16/h2-9,18H,1H3,(H,20,21)
InChIKeyDBPQHSFKRHQMMY-UHFFFAOYSA-N
XLogP3.38
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1H-indol-3-yl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(2-methyl-1H-indol-3-yl)-1H-quinoxalin-2-one (CID 7996543) is 3-(2-methyl-1H-indol-3-yl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(2-methyl-1H-indol-3-yl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(2-methyl-1H-indol-3-yl)-1H-quinoxalin-2-one is Cc1[nH]c2ccccc2c1-c1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-(2-methyl-1H-indol-3-yl)-1H-quinoxalin-2-one?
The InChIKey is DBPQHSFKRHQMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-10-15(11-6-2-3-7-12(11)18-10)16-17(21)20-14-9-5-4-8-13(14)19-16/h2-9,18H,1H3,(H,20,21).
What are the key properties of 3-(2-methyl-1H-indol-3-yl)-1H-quinoxalin-2-one?
3-(2-methyl-1H-indol-3-yl)-1H-quinoxalin-2-one has a molecular weight of 275.31 g/mol, XLogP of 3.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1H-indol-3-yl)-1H-quinoxalin-2-one is sourced from PubChem (CID 7996543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).