6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine

C21H18N4O — CID 820005

IUPAC6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine
SMILESCOc1ccc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1
InChIInChI=1S/C21H18N4O/c1-26-17-12-13-18-19(14-17)25-21(23-16-10-6-3-7-11-16)20(24-18)22-15-8-4-2-5-9-15/h2-14H,1H3,(H,22,24)(H,23,25)
InChIKeyHCHPSLAKVJZIDG-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.13
Rot. Bonds5

About 6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine

6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine (PubChem CID 820005) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine
PubChem CID820005
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine
SMILESCOc1ccc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1
InChIInChI=1S/C21H18N4O/c1-26-17-12-13-18-19(14-17)25-21(23-16-10-6-3-7-11-16)20(24-18)22-15-8-4-2-5-9-15/h2-14H,1H3,(H,22,24)(H,23,25)
InChIKeyHCHPSLAKVJZIDG-UHFFFAOYSA-N
XLogP5.13
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methoxyphenazine
CID 235279
N-(3-(3,5-Dimethoxyphenylamino)quinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 1627922
7-Methoxy-1,2,3,4-tetrahydrophenazine
CID 2812779
1-(2,3-Dimethylquinoxalin-6-yl)-3-(3-methoxyphenyl)urea
CID 1072886
N6-(3,4-dimethoxyphenyl)-N6-methyl-pyrido[3,2-d]pyrimidine-2,4,6-triamine
CID 476035
N-(3-methoxyphenyl)-4-methylquinolin-2-amine
CID 910456
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)quinoxalin-2-amine
CID 914394
2-[4-(4-Methoxyphenyl)piperazin-1-yl]quinoxaline
CID 2764806
6-[(4-Methoxyanilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 457776
4-[[3-(4-Hydroxyanilino)-1,4-dihydroquinoxalin-2-yl]imino]cyclohexa-2,5-dien-1-one
CID 794181
N-(4-(N-(3-((4-Methoxyphenyl)amino)quinoxalin-2-yl)sulfamoyl)phenyl)acetamide
CID 1241530
Benzyl-(6,7-dimethoxy-quinoxalin-2-yl)-amine
CID 9839107

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine?
The IUPAC name of 6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine (CID 820005) is 6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine is COc1ccc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1.
What is the InChIKey of 6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine?
The InChIKey is HCHPSLAKVJZIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-26-17-12-13-18-19(14-17)25-21(23-16-10-6-3-7-11-16)20(24-18)22-15-8-4-2-5-9-15/h2-14H,1H3,(H,22,24)(H,23,25).
What are the key properties of 6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine?
6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine has a molecular weight of 342.40 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine is sourced from PubChem (CID 820005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).