1-benzyl-3-propylquinoxalin-2-one

C18H18N2O — CID 10826458

IUPAC1-benzyl-3-propylquinoxalin-2-one
SMILESCCCc1nc2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C18H18N2O/c1-2-8-16-18(21)20(13-14-9-4-3-5-10-14)17-12-7-6-11-15(17)19-16/h3-7,9-12H,2,8,13H2,1H3
InChIKeyHEMLGYFICPYWTH-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.40
Rot. Bonds4

About 1-benzyl-3-propylquinoxalin-2-one

1-benzyl-3-propylquinoxalin-2-one (PubChem CID 10826458) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-benzyl-3-propylquinoxalin-2-one.

Molecular Properties

Compound Name1-benzyl-3-propylquinoxalin-2-one
PubChem CID10826458
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-benzyl-3-propylquinoxalin-2-one
SMILESCCCc1nc2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C18H18N2O/c1-2-8-16-18(21)20(13-14-9-4-3-5-10-14)17-12-7-6-11-15(17)19-16/h3-7,9-12H,2,8,13H2,1H3
InChIKeyHEMLGYFICPYWTH-UHFFFAOYSA-N
XLogP3.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-propylquinoxalin-2-one?
The IUPAC name of 1-benzyl-3-propylquinoxalin-2-one (CID 10826458) is 1-benzyl-3-propylquinoxalin-2-one.
What is the SMILES notation for 1-benzyl-3-propylquinoxalin-2-one?
The canonical SMILES for 1-benzyl-3-propylquinoxalin-2-one is CCCc1nc2ccccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-propylquinoxalin-2-one?
The InChIKey is HEMLGYFICPYWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-8-16-18(21)20(13-14-9-4-3-5-10-14)17-12-7-6-11-15(17)19-16/h3-7,9-12H,2,8,13H2,1H3.
What are the key properties of 1-benzyl-3-propylquinoxalin-2-one?
1-benzyl-3-propylquinoxalin-2-one has a molecular weight of 278.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-propylquinoxalin-2-one is sourced from PubChem (CID 10826458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).