1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione

C23H16N2O4 — CID 2445640

IUPAC1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
SMILESO=C1CN(C(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c2ccccc2N1
InChIInChI=1S/C23H16N2O4/c26-20-14-25(19-9-5-4-8-18(19)24-20)23(29)17-12-10-16(11-13-17)22(28)21(27)15-6-2-1-3-7-15/h1-13H,14H2,(H,24,26)
InChIKeySYGMZEWEZGWDFS-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.35
Rot. Bonds4

About 1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione

1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione (PubChem CID 2445640) has the molecular formula C23H16N2O4 and a molecular weight of 384.39 g/mol. Its IUPAC name is 1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione.

Molecular Properties

Compound Name1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
PubChem CID2445640
Molecular FormulaC23H16N2O4
Molecular Weight384.39 g/mol
Exact Mass384.11
IUPAC Name1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
SMILESO=C1CN(C(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c2ccccc2N1
InChIInChI=1S/C23H16N2O4/c26-20-14-25(19-9-5-4-8-18(19)24-20)23(29)17-12-10-16(11-13-17)22(28)21(27)15-6-2-1-3-7-15/h1-13H,14H2,(H,24,26)
InChIKeySYGMZEWEZGWDFS-UHFFFAOYSA-N
XLogP3.35
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43333513
4-(3,4-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 103956224
4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 3159804
4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863960
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863954
4-(6-aminopyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 62152009
4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16802704
4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 110667501
4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 63195251
4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane
CID 170568760
4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16863988
4-[3-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43156396

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione?
The IUPAC name of 1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione (CID 2445640) is 1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione.
What is the SMILES notation for 1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione?
The canonical SMILES for 1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione is O=C1CN(C(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c2ccccc2N1.
What is the InChIKey of 1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione?
The InChIKey is SYGMZEWEZGWDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O4/c26-20-14-25(19-9-5-4-8-18(19)24-20)23(29)17-12-10-16(11-13-17)22(28)21(27)15-6-2-1-3-7-15/h1-13H,14H2,(H,24,26).
What are the key properties of 1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione?
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione has a molecular weight of 384.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione is sourced from PubChem (CID 2445640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).