4-[2-(benzylamino)acetyl]-1,3-dihydroquinoxalin-2-one

C17H17N3O2 — CID 2436038

IUPAC4-[2-(benzylamino)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CNCc2ccccc2)c2ccccc2N1
InChIInChI=1S/C17H17N3O2/c21-16-12-20(15-9-5-4-8-14(15)19-16)17(22)11-18-10-13-6-2-1-3-7-13/h1-9,18H,10-12H2,(H,19,21)
InChIKeyCGYBRQXAENMNHG-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.76
Rot. Bonds4

About 4-[2-(benzylamino)acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(benzylamino)acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 2436038) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[2-(benzylamino)acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(benzylamino)acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID2436038
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-[2-(benzylamino)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CNCc2ccccc2)c2ccccc2N1
InChIInChI=1S/C17H17N3O2/c21-16-12-20(15-9-5-4-8-14(15)19-16)17(22)11-18-10-13-6-2-1-3-7-13/h1-9,18H,10-12H2,(H,19,21)
InChIKeyCGYBRQXAENMNHG-UHFFFAOYSA-N
XLogP1.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzylamino)acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(benzylamino)acetyl]-1,3-dihydroquinoxalin-2-one (CID 2436038) is 4-[2-(benzylamino)acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(benzylamino)acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(benzylamino)acetyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)CNCc2ccccc2)c2ccccc2N1.
What is the InChIKey of 4-[2-(benzylamino)acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is CGYBRQXAENMNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-16-12-20(15-9-5-4-8-14(15)19-16)17(22)11-18-10-13-6-2-1-3-7-13/h1-9,18H,10-12H2,(H,19,21).
What are the key properties of 4-[2-(benzylamino)acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(benzylamino)acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 295.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylamino)acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2436038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).