6-(4-methoxyphenyl)iminoquinoxaline-5,8-dione

C15H11N3O3 — CID 57270509

IUPAC6-(4-methoxyphenyl)iminoquinoxaline-5,8-dione
SMILESCOc1ccc(/N=C2\CC(=O)c3nccnc3C2=O)cc1
InChIInChI=1S/C15H11N3O3/c1-21-10-4-2-9(3-5-10)18-11-8-12(19)13-14(15(11)20)17-7-6-16-13/h2-7H,8H2,1H3/b18-11+
InChIKeyFQZDNQZRLFDWDH-WOJGMQOQSA-N
MW281.27 g/mol
LogP2.03
Rot. Bonds2

About 6-(4-methoxyphenyl)iminoquinoxaline-5,8-dione

6-(4-methoxyphenyl)iminoquinoxaline-5,8-dione (PubChem CID 57270509) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)iminoquinoxaline-5,8-dione.

Molecular Properties

Compound Name6-(4-methoxyphenyl)iminoquinoxaline-5,8-dione
PubChem CID57270509
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name6-(4-methoxyphenyl)iminoquinoxaline-5,8-dione
SMILESCOc1ccc(/N=C2\CC(=O)c3nccnc3C2=O)cc1
InChIInChI=1S/C15H11N3O3/c1-21-10-4-2-9(3-5-10)18-11-8-12(19)13-14(15(11)20)17-7-6-16-13/h2-7H,8H2,1H3/b18-11+
InChIKeyFQZDNQZRLFDWDH-WOJGMQOQSA-N
XLogP2.03
TPSA81.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
CID 10563407
4-(4-methoxyphenyl)imino-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one
CID 12729570
2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135411286
4-(4-methoxyphenyl)-7,8-dihydro-6H-quinolin-5-one
CID 6463228
(4-methoxyphenyl)-pyrazin-2-yldiazene
CID 13015878
N-(4-methoxyphenyl)-1,3-thiaselenan-2-imine
CID 138974484
methyl (1R)-3-butanoyl-2-hydroxy-4-(4-methoxyphenyl)imino-6,6-dimethylcyclohex-2-ene-1-carboxylate
CID 135608996
(2E,5S)-2-(1-hydroxypentylidene)-3-(4-methoxyphenyl)imino-5-phenylcyclohexan-1-one
CID 135622882
methyl (1S)-3-butanoyl-2-hydroxy-4-(4-methoxyphenyl)imino-6,6-dimethylcyclohex-2-ene-1-carboxylate
CID 135608997
N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine
CID 171055873
N-(4-methoxyphenyl)-2,6-dimethylcyclohexan-1-imine
CID 19962585
(4-methoxyphenyl) nitrite
CID 118559618

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)iminoquinoxaline-5,8-dione?
The IUPAC name of 6-(4-methoxyphenyl)iminoquinoxaline-5,8-dione (CID 57270509) is 6-(4-methoxyphenyl)iminoquinoxaline-5,8-dione.
What is the SMILES notation for 6-(4-methoxyphenyl)iminoquinoxaline-5,8-dione?
The canonical SMILES for 6-(4-methoxyphenyl)iminoquinoxaline-5,8-dione is COc1ccc(/N=C2\CC(=O)c3nccnc3C2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)iminoquinoxaline-5,8-dione?
The InChIKey is FQZDNQZRLFDWDH-WOJGMQOQSA-N. The full InChI is InChI=1S/C15H11N3O3/c1-21-10-4-2-9(3-5-10)18-11-8-12(19)13-14(15(11)20)17-7-6-16-13/h2-7H,8H2,1H3/b18-11+.
What are the key properties of 6-(4-methoxyphenyl)iminoquinoxaline-5,8-dione?
6-(4-methoxyphenyl)iminoquinoxaline-5,8-dione has a molecular weight of 281.27 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)iminoquinoxaline-5,8-dione is sourced from PubChem (CID 57270509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).