4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide

C22H23N3O3 — CID 51174755

About 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide

4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide (PubChem CID 51174755) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide.

Molecular Properties

• Compound Name: 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
• PubChem CID: 51174755
• Molecular Formula: C22H23N3O3
• Molecular Weight: 377.44 g/mol
• Exact Mass: 377.17
• IUPAC Name: 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
• SMILES: O=C1CN(C(=O)CCC(=O)Nc2cccc3c2CCCC3)c2ccccc2N1
• InChI: InChI=1S/C22H23N3O3/c26-20(23-17-10-5-7-15-6-1-2-8-16(15)17)12-13-22(28)25-14-21(27)24-18-9-3-4-11-19(18)25/h3-5,7,9-11H,1-2,6,8,12-14H2,(H,23,26)(H,24,27)
• InChIKey: SYYLQMTTWVAEDC-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.44
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide?

The IUPAC name of 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide (CID 51174755) is 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide.

What is the SMILES notation for 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide?

The canonical SMILES for 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide is O=C1CN(C(=O)CCC(=O)Nc2cccc3c2CCCC3)c2ccccc2N1.

What is the InChIKey of 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide?

The InChIKey is SYYLQMTTWVAEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-20(23-17-10-5-7-15-6-1-2-8-16(15)17)12-13-22(28)25-14-21(27)24-18-9-3-4-11-19(18)25/h3-5,7,9-11H,1-2,6,8,12-14H2,(H,23,26)(H,24,27).

What are the key properties of 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide?

4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide has a molecular weight of 377.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide is sourced from PubChem (CID 51174755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).