6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one

C15H11N3O4 — CID 134852700

IUPAC6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one
SMILESCOc1ccc2[nH]c(=O)c(-c3ccc([N+](=O)[O-])cc3)nc2c1
InChIInChI=1S/C15H11N3O4/c1-22-11-6-7-12-13(8-11)16-14(15(19)17-12)9-2-4-10(5-3-9)18(20)21/h2-8H,1H3,(H,17,19)
InChIKeyPWLCTDCXVAMOHK-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.51
Rot. Bonds3

About 6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one

6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one (PubChem CID 134852700) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one
PubChem CID134852700
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one
SMILESCOc1ccc2[nH]c(=O)c(-c3ccc([N+](=O)[O-])cc3)nc2c1
InChIInChI=1S/C15H11N3O4/c1-22-11-6-7-12-13(8-11)16-14(15(19)17-12)9-2-4-10(5-3-9)18(20)21/h2-8H,1H3,(H,17,19)
InChIKeyPWLCTDCXVAMOHK-UHFFFAOYSA-N
XLogP2.51
TPSA98.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-2-(4-nitrophenyl)-1H-benzimidazole
CID 10563883
7-nitro-3-phenyl-1H-quinoxalin-2-one
CID 10754287
5,15-bis(4-methoxyphenyl)-10,20-bis(4-nitrophenyl)-21,23-dihydroporphyrin
CID 135496782
7-methoxy-3-oxo-4H-quinoxaline-2-carboxylic acid
CID 77230400
3-(3-nitrophenyl)-1H-quinoxalin-2-one
CID 129286598
3-(methylamino)-6-nitro-1H-quinoxalin-2-one
CID 101049374
1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697
2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-bis(4-nitrophenyl)-1H-imidazole
CID 102282217
6-methoxy-2-nitro-1H-benzimidazole
CID 24860
2,4-dimethoxy-1-(4-nitrophenyl)benzene
CID 59205838
2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine
CID 141380203
4-amino-5-(4-methoxyphenyl)-7-(4-nitrophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one
CID 10452915

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one?
The IUPAC name of 6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one (CID 134852700) is 6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one?
The canonical SMILES for 6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one is COc1ccc2[nH]c(=O)c(-c3ccc([N+](=O)[O-])cc3)nc2c1.
What is the InChIKey of 6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one?
The InChIKey is PWLCTDCXVAMOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c1-22-11-6-7-12-13(8-11)16-14(15(19)17-12)9-2-4-10(5-3-9)18(20)21/h2-8H,1H3,(H,17,19).
What are the key properties of 6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one?
6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one has a molecular weight of 297.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 134852700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).