1-methyl-3-(pyridin-3-yloxymethyl)quinoxalin-2-one

C15H13N3O2 — CID 10515965

IUPAC1-methyl-3-(pyridin-3-yloxymethyl)quinoxalin-2-one
SMILESCn1c(=O)c(COc2cccnc2)nc2ccccc21
InChIInChI=1S/C15H13N3O2/c1-18-14-7-3-2-6-12(14)17-13(15(18)19)10-20-11-5-4-8-16-9-11/h2-9H,10H2,1H3
InChIKeyNBRWEFBDAONIEN-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.91
Rot. Bonds3

About 1-methyl-3-(pyridin-3-yloxymethyl)quinoxalin-2-one

1-methyl-3-(pyridin-3-yloxymethyl)quinoxalin-2-one (PubChem CID 10515965) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-methyl-3-(pyridin-3-yloxymethyl)quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-3-(pyridin-3-yloxymethyl)quinoxalin-2-one
PubChem CID10515965
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1-methyl-3-(pyridin-3-yloxymethyl)quinoxalin-2-one
SMILESCn1c(=O)c(COc2cccnc2)nc2ccccc21
InChIInChI=1S/C15H13N3O2/c1-18-14-7-3-2-6-12(14)17-13(15(18)19)10-20-11-5-4-8-16-9-11/h2-9H,10H2,1H3
InChIKeyNBRWEFBDAONIEN-UHFFFAOYSA-N
XLogP1.91
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(pyridin-3-yloxymethyl)quinoxalin-2-one?
The IUPAC name of 1-methyl-3-(pyridin-3-yloxymethyl)quinoxalin-2-one (CID 10515965) is 1-methyl-3-(pyridin-3-yloxymethyl)quinoxalin-2-one.
What is the SMILES notation for 1-methyl-3-(pyridin-3-yloxymethyl)quinoxalin-2-one?
The canonical SMILES for 1-methyl-3-(pyridin-3-yloxymethyl)quinoxalin-2-one is Cn1c(=O)c(COc2cccnc2)nc2ccccc21.
What is the InChIKey of 1-methyl-3-(pyridin-3-yloxymethyl)quinoxalin-2-one?
The InChIKey is NBRWEFBDAONIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-18-14-7-3-2-6-12(14)17-13(15(18)19)10-20-11-5-4-8-16-9-11/h2-9H,10H2,1H3.
What are the key properties of 1-methyl-3-(pyridin-3-yloxymethyl)quinoxalin-2-one?
1-methyl-3-(pyridin-3-yloxymethyl)quinoxalin-2-one has a molecular weight of 267.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(pyridin-3-yloxymethyl)quinoxalin-2-one is sourced from PubChem (CID 10515965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).