2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide

C29H31N3O2 — CID 53383103

IUPAC2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide
SMILESCCCCCNC(=O)C(CCc1ccccc1)n1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C29H31N3O2/c1-2-3-12-21-30-28(33)26(20-19-22-13-6-4-7-14-22)32-25-18-11-10-17-24(25)31-27(29(32)34)23-15-8-5-9-16-23/h4-11,13-18,26H,2-3,12,19-21H2,1H3,(H,30,33)
InChIKeyQNXWUGREBLPOBJ-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.54
Rot. Bonds10

About 2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide

2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide (PubChem CID 53383103) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide.

Molecular Properties

Compound Name2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide
PubChem CID53383103
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC Name2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide
SMILESCCCCCNC(=O)C(CCc1ccccc1)n1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C29H31N3O2/c1-2-3-12-21-30-28(33)26(20-19-22-13-6-4-7-14-22)32-25-18-11-10-17-24(25)31-27(29(32)34)23-15-8-5-9-16-23/h4-11,13-18,26H,2-3,12,19-21H2,1H3,(H,30,33)
InChIKeyQNXWUGREBLPOBJ-UHFFFAOYSA-N
XLogP5.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide?
The IUPAC name of 2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide (CID 53383103) is 2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide.
What is the SMILES notation for 2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide?
The canonical SMILES for 2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide is CCCCCNC(=O)C(CCc1ccccc1)n1c(=O)c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide?
The InChIKey is QNXWUGREBLPOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-2-3-12-21-30-28(33)26(20-19-22-13-6-4-7-14-22)32-25-18-11-10-17-24(25)31-27(29(32)34)23-15-8-5-9-16-23/h4-11,13-18,26H,2-3,12,19-21H2,1H3,(H,30,33).
What are the key properties of 2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide?
2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide has a molecular weight of 453.59 g/mol, XLogP of 5.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide is sourced from PubChem (CID 53383103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).