4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxaline-1-carboxamide

C22H26FN5O3 — CID 22579762

About 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxaline-1-carboxamide

4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxaline-1-carboxamide (PubChem CID 22579762) has the molecular formula C22H26FN5O3 and a molecular weight of 427.48 g/mol. Its IUPAC name is 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxaline-1-carboxamide.

Molecular Properties

• Compound Name: 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxaline-1-carboxamide
• PubChem CID: 22579762
• Molecular Formula: C22H26FN5O3
• Molecular Weight: 427.48 g/mol
• Exact Mass: 427.20
• IUPAC Name: 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxaline-1-carboxamide
• SMILES: CN(C)CCNC(=O)CN1C(=O)CN(C(=O)NCc2ccc(F)cc2)c2ccccc21
• InChI: InChI=1S/C22H26FN5O3/c1-26(2)12-11-24-20(29)14-27-18-5-3-4-6-19(18)28(15-21(27)30)22(31)25-13-16-7-9-17(23)10-8-16/h3-10H,11-15H2,1-2H3,(H,24,29)(H,25,31)
• InChIKey: PLVFBKDWKZYKDN-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 84.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.48
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxaline-1-carboxamide?

The IUPAC name of 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxaline-1-carboxamide (CID 22579762) is 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxaline-1-carboxamide.

What is the SMILES notation for 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxaline-1-carboxamide?

The canonical SMILES for 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxaline-1-carboxamide is CN(C)CCNC(=O)CN1C(=O)CN(C(=O)NCc2ccc(F)cc2)c2ccccc21.

What is the InChIKey of 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxaline-1-carboxamide?

The InChIKey is PLVFBKDWKZYKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O3/c1-26(2)12-11-24-20(29)14-27-18-5-3-4-6-19(18)28(15-21(27)30)22(31)25-13-16-7-9-17(23)10-8-16/h3-10H,11-15H2,1-2H3,(H,24,29)(H,25,31).

What are the key properties of 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxaline-1-carboxamide?

4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxaline-1-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 22579762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).