7-chloro-1-methyl-3-phenylquinoxalin-2-one

C15H11ClN2O — CID 163364599

IUPAC7-chloro-1-methyl-3-phenylquinoxalin-2-one
SMILESCn1c(=O)c(-c2ccccc2)nc2ccc(Cl)cc21
InChIInChI=1S/C15H11ClN2O/c1-18-13-9-11(16)7-8-12(13)17-14(15(18)19)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyLIVVOKVRHMNYPL-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.25
Rot. Bonds1

About 7-chloro-1-methyl-3-phenylquinoxalin-2-one

7-chloro-1-methyl-3-phenylquinoxalin-2-one (PubChem CID 163364599) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 7-chloro-1-methyl-3-phenylquinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-1-methyl-3-phenylquinoxalin-2-one
PubChem CID163364599
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name7-chloro-1-methyl-3-phenylquinoxalin-2-one
SMILESCn1c(=O)c(-c2ccccc2)nc2ccc(Cl)cc21
InChIInChI=1S/C15H11ClN2O/c1-18-13-9-11(16)7-8-12(13)17-14(15(18)19)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyLIVVOKVRHMNYPL-UHFFFAOYSA-N
XLogP3.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-3-phenylquinoxalin-2-one?
The IUPAC name of 7-chloro-1-methyl-3-phenylquinoxalin-2-one (CID 163364599) is 7-chloro-1-methyl-3-phenylquinoxalin-2-one.
What is the SMILES notation for 7-chloro-1-methyl-3-phenylquinoxalin-2-one?
The canonical SMILES for 7-chloro-1-methyl-3-phenylquinoxalin-2-one is Cn1c(=O)c(-c2ccccc2)nc2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-1-methyl-3-phenylquinoxalin-2-one?
The InChIKey is LIVVOKVRHMNYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c1-18-13-9-11(16)7-8-12(13)17-14(15(18)19)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 7-chloro-1-methyl-3-phenylquinoxalin-2-one?
7-chloro-1-methyl-3-phenylquinoxalin-2-one has a molecular weight of 270.72 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-3-phenylquinoxalin-2-one is sourced from PubChem (CID 163364599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).