6-(4-methoxyanilino)-2,3-diphenylquinoxaline-5,8-dione

C27H19N3O3 — CID 67566873

IUPAC6-(4-methoxyanilino)-2,3-diphenylquinoxaline-5,8-dione
SMILESCOc1ccc(NC2=CC(=O)c3nc(-c4ccccc4)c(-c4ccccc4)nc3C2=O)cc1
InChIInChI=1S/C27H19N3O3/c1-33-20-14-12-19(13-15-20)28-21-16-22(31)25-26(27(21)32)30-24(18-10-6-3-7-11-18)23(29-25)17-8-4-2-5-9-17/h2-16,28H,1H3
InChIKeyUKRMNUYXFOINAC-UHFFFAOYSA-N
MW433.47 g/mol
LogP5.19
Rot. Bonds5

About 6-(4-methoxyanilino)-2,3-diphenylquinoxaline-5,8-dione

6-(4-methoxyanilino)-2,3-diphenylquinoxaline-5,8-dione (PubChem CID 67566873) has the molecular formula C27H19N3O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 6-(4-methoxyanilino)-2,3-diphenylquinoxaline-5,8-dione.

Molecular Properties

Compound Name6-(4-methoxyanilino)-2,3-diphenylquinoxaline-5,8-dione
PubChem CID67566873
Molecular FormulaC27H19N3O3
Molecular Weight433.47 g/mol
Exact Mass433.14
IUPAC Name6-(4-methoxyanilino)-2,3-diphenylquinoxaline-5,8-dione
SMILESCOc1ccc(NC2=CC(=O)c3nc(-c4ccccc4)c(-c4ccccc4)nc3C2=O)cc1
InChIInChI=1S/C27H19N3O3/c1-33-20-14-12-19(13-15-20)28-21-16-22(31)25-26(27(21)32)30-24(18-10-6-3-7-11-18)23(29-25)17-8-4-2-5-9-17/h2-16,28H,1H3
InChIKeyUKRMNUYXFOINAC-UHFFFAOYSA-N
XLogP5.19
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-({2-[(7-Methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl}amino)naphthalene-1,4-dione
CID 101886793
N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide
CID 8966366
6-(4-Ethoxyanilino)-2,3-dimethylquinoxaline-5,8-dione
CID 44588198
8-(4-methoxyanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
CID 56659326
6-(4-Methoxyanilino)-5-(4-methoxyphenyl)iminoquinolin-8-one
CID 44370167
N-(4-methoxyphenyl)phenazine-1-carboxamide
CID 3538434
3-(3-Methoxyphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one
CID 71589054
6-(4-Methoxyanilino)quinoline-5,8-dione
CID 13370933
1-[3-[6-(3-Acetylphenyl)-4-[4-(trifluoromethoxy)anilino]pyridin-2-yl]phenyl]ethanone
CID 11605574
6-(4-Methoxy-phenylamino)-8-(4-methoxyphenylimino)-5,8-dihydro-quinolin-5-one
CID 12424024
4-butyl-N-(4-methoxyphenyl)quinoline-2-carboxamide
CID 135012730
3-(4-Methoxyanilino)-6-methyl-1,2,5-triphenylpyrrolo[3,2-c]pyridin-4-one
CID 139205665

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyanilino)-2,3-diphenylquinoxaline-5,8-dione?
The IUPAC name of 6-(4-methoxyanilino)-2,3-diphenylquinoxaline-5,8-dione (CID 67566873) is 6-(4-methoxyanilino)-2,3-diphenylquinoxaline-5,8-dione.
What is the SMILES notation for 6-(4-methoxyanilino)-2,3-diphenylquinoxaline-5,8-dione?
The canonical SMILES for 6-(4-methoxyanilino)-2,3-diphenylquinoxaline-5,8-dione is COc1ccc(NC2=CC(=O)c3nc(-c4ccccc4)c(-c4ccccc4)nc3C2=O)cc1.
What is the InChIKey of 6-(4-methoxyanilino)-2,3-diphenylquinoxaline-5,8-dione?
The InChIKey is UKRMNUYXFOINAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O3/c1-33-20-14-12-19(13-15-20)28-21-16-22(31)25-26(27(21)32)30-24(18-10-6-3-7-11-18)23(29-25)17-8-4-2-5-9-17/h2-16,28H,1H3.
What are the key properties of 6-(4-methoxyanilino)-2,3-diphenylquinoxaline-5,8-dione?
6-(4-methoxyanilino)-2,3-diphenylquinoxaline-5,8-dione has a molecular weight of 433.47 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyanilino)-2,3-diphenylquinoxaline-5,8-dione is sourced from PubChem (CID 67566873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).