N-(9,10-dioxoanthracen-2-yl)-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide

C25H19N3O4 — CID 96522220

IUPACN-(9,10-dioxoanthracen-2-yl)-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide
SMILESC[C@H]1C(=O)Nc2ccccc2N1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C25H19N3O4/c1-14-25(32)27-20-8-4-5-9-21(20)28(14)13-22(29)26-15-10-11-18-19(12-15)24(31)17-7-3-2-6-16(17)23(18)30/h2-12,14H,13H2,1H3,(H,26,29)(H,27,32)/t14-/m0/s1
InChIKeyGLFQIKNQUZMTKT-AWEZNQCLSA-N
MW425.44 g/mol
LogP3.25
Rot. Bonds3

About N-(9,10-dioxoanthracen-2-yl)-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide

N-(9,10-dioxoanthracen-2-yl)-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide (PubChem CID 96522220) has the molecular formula C25H19N3O4 and a molecular weight of 425.44 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-2-yl)-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-2-yl)-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide
PubChem CID96522220
Molecular FormulaC25H19N3O4
Molecular Weight425.44 g/mol
Exact Mass425.14
IUPAC NameN-(9,10-dioxoanthracen-2-yl)-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide
SMILESC[C@H]1C(=O)Nc2ccccc2N1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C25H19N3O4/c1-14-25(32)27-20-8-4-5-9-21(20)28(14)13-22(29)26-15-10-11-18-19(12-15)24(31)17-7-3-2-6-16(17)23(18)30/h2-12,14H,13H2,1H3,(H,26,29)(H,27,32)/t14-/m0/s1
InChIKeyGLFQIKNQUZMTKT-AWEZNQCLSA-N
XLogP3.25
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-2-yl)-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide?
The IUPAC name of N-(9,10-dioxoanthracen-2-yl)-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide (CID 96522220) is N-(9,10-dioxoanthracen-2-yl)-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-2-yl)-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide?
The canonical SMILES for N-(9,10-dioxoanthracen-2-yl)-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide is C[C@H]1C(=O)Nc2ccccc2N1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(9,10-dioxoanthracen-2-yl)-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide?
The InChIKey is GLFQIKNQUZMTKT-AWEZNQCLSA-N. The full InChI is InChI=1S/C25H19N3O4/c1-14-25(32)27-20-8-4-5-9-21(20)28(14)13-22(29)26-15-10-11-18-19(12-15)24(31)17-7-3-2-6-16(17)23(18)30/h2-12,14H,13H2,1H3,(H,26,29)(H,27,32)/t14-/m0/s1.
What are the key properties of N-(9,10-dioxoanthracen-2-yl)-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide?
N-(9,10-dioxoanthracen-2-yl)-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide has a molecular weight of 425.44 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-2-yl)-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide is sourced from PubChem (CID 96522220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).