2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide

C26H24N6O4 — CID 1183778

IUPAC2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide
SMILESO=C(C[C@@H]1Nc2ccccc2NC1=O)Nc1ccccc1NC(=O)C[C@@H]1Nc2ccccc2NC1=O
InChIInChI=1S/C26H24N6O4/c33-23(13-21-25(35)31-19-11-5-1-7-15(19)27-21)29-17-9-3-4-10-18(17)30-24(34)14-22-26(36)32-20-12-6-2-8-16(20)28-22/h1-12,21-22,27-28H,13-14H2,(H,29,33)(H,30,34)(H,31,35)(H,32,36)/t21-,22-/m0/s1
InChIKeyAGKLWEWOQZWBIZ-VXKWHMMOSA-N
MW484.52 g/mol
LogP3.21
Rot. Bonds6

About 2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide

2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide (PubChem CID 1183778) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is 2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide
PubChem CID1183778
Molecular FormulaC26H24N6O4
Molecular Weight484.52 g/mol
Exact Mass484.19
IUPAC Name2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide
SMILESO=C(C[C@@H]1Nc2ccccc2NC1=O)Nc1ccccc1NC(=O)C[C@@H]1Nc2ccccc2NC1=O
InChIInChI=1S/C26H24N6O4/c33-23(13-21-25(35)31-19-11-5-1-7-15(19)27-21)29-17-9-3-4-10-18(17)30-24(34)14-22-26(36)32-20-12-6-2-8-16(20)28-22/h1-12,21-22,27-28H,13-14H2,(H,29,33)(H,30,34)(H,31,35)(H,32,36)/t21-,22-/m0/s1
InChIKeyAGKLWEWOQZWBIZ-VXKWHMMOSA-N
XLogP3.21
TPSA140.46 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 53.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-cyanophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 681566
N-(2,4-dimethylphenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 702403
N-cyclopropyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
CID 71668687
N-(3,4-difluorophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 29101500
N-benzyl-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 795021
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(2-methylphenyl)acetamide
CID 75465802
N-(5-methyl-1,2-oxazol-3-yl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
CID 15999852
3-(2-oxopropyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 11171721
2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(2-ethylphenyl)acetamide
CID 118985657
3-(2-oxobutyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 71363678
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(2-methoxyphenyl)acetamide
CID 51836525
N-(1,3-benzodioxol-5-yl)-2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 729929

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide (CID 1183778) is 2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide is O=C(C[C@@H]1Nc2ccccc2NC1=O)Nc1ccccc1NC(=O)C[C@@H]1Nc2ccccc2NC1=O.
What is the InChIKey of 2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide?
The InChIKey is AGKLWEWOQZWBIZ-VXKWHMMOSA-N. The full InChI is InChI=1S/C26H24N6O4/c33-23(13-21-25(35)31-19-11-5-1-7-15(19)27-21)29-17-9-3-4-10-18(17)30-24(34)14-22-26(36)32-20-12-6-2-8-16(20)28-22/h1-12,21-22,27-28H,13-14H2,(H,29,33)(H,30,34)(H,31,35)(H,32,36)/t21-,22-/m0/s1.
What are the key properties of 2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide?
2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide has a molecular weight of 484.52 g/mol, XLogP of 3.21, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 1183778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).