2-N-(3,5-dimethoxyphenyl)-3-N-[4-(methylamino)phenoxy]quinoxaline-2,3-diamine

C23H23N5O3 — CID 145134762

IUPAC2-N-(3,5-dimethoxyphenyl)-3-N-[4-(methylamino)phenoxy]quinoxaline-2,3-diamine
SMILESCNc1ccc(ONc2nc3ccccc3nc2Nc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C23H23N5O3/c1-24-15-8-10-17(11-9-15)31-28-23-22(26-20-6-4-5-7-21(20)27-23)25-16-12-18(29-2)14-19(13-16)30-3/h4-14,24H,1-3H3,(H,25,26)(H,27,28)
InChIKeyNTTGYEUQTYGMTA-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.84
Rot. Bonds8

About 2-N-(3,5-dimethoxyphenyl)-3-N-[4-(methylamino)phenoxy]quinoxaline-2,3-diamine

2-N-(3,5-dimethoxyphenyl)-3-N-[4-(methylamino)phenoxy]quinoxaline-2,3-diamine (PubChem CID 145134762) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-N-(3,5-dimethoxyphenyl)-3-N-[4-(methylamino)phenoxy]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethoxyphenyl)-3-N-[4-(methylamino)phenoxy]quinoxaline-2,3-diamine
PubChem CID145134762
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name2-N-(3,5-dimethoxyphenyl)-3-N-[4-(methylamino)phenoxy]quinoxaline-2,3-diamine
SMILESCNc1ccc(ONc2nc3ccccc3nc2Nc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C23H23N5O3/c1-24-15-8-10-17(11-9-15)31-28-23-22(26-20-6-4-5-7-21(20)27-23)25-16-12-18(29-2)14-19(13-16)30-3/h4-14,24H,1-3H3,(H,25,26)(H,27,28)
InChIKeyNTTGYEUQTYGMTA-UHFFFAOYSA-N
XLogP4.84
TPSA89.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine
CID 68879668
N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide
CID 143442920
N-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine
CID 58274304
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1402865
2-N-(3,5-dimethoxyphenyl)-3-N-[4-(trifluoromethyl)phenyl]sulfanylquinoxaline-2,3-diamine
CID 143628600
3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine
CID 141168476
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-2-(propan-2-ylamino)benzenesulfonamide
CID 174548611
1-[4-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]phenyl]ethanone
CID 68882323
3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine
CID 141211320
methyl 2-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanoate
CID 141170275
N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide
CID 70906976
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide
CID 151992282

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethoxyphenyl)-3-N-[4-(methylamino)phenoxy]quinoxaline-2,3-diamine?
The IUPAC name of 2-N-(3,5-dimethoxyphenyl)-3-N-[4-(methylamino)phenoxy]quinoxaline-2,3-diamine (CID 145134762) is 2-N-(3,5-dimethoxyphenyl)-3-N-[4-(methylamino)phenoxy]quinoxaline-2,3-diamine.
What is the SMILES notation for 2-N-(3,5-dimethoxyphenyl)-3-N-[4-(methylamino)phenoxy]quinoxaline-2,3-diamine?
The canonical SMILES for 2-N-(3,5-dimethoxyphenyl)-3-N-[4-(methylamino)phenoxy]quinoxaline-2,3-diamine is CNc1ccc(ONc2nc3ccccc3nc2Nc2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of 2-N-(3,5-dimethoxyphenyl)-3-N-[4-(methylamino)phenoxy]quinoxaline-2,3-diamine?
The InChIKey is NTTGYEUQTYGMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-24-15-8-10-17(11-9-15)31-28-23-22(26-20-6-4-5-7-21(20)27-23)25-16-12-18(29-2)14-19(13-16)30-3/h4-14,24H,1-3H3,(H,25,26)(H,27,28).
What are the key properties of 2-N-(3,5-dimethoxyphenyl)-3-N-[4-(methylamino)phenoxy]quinoxaline-2,3-diamine?
2-N-(3,5-dimethoxyphenyl)-3-N-[4-(methylamino)phenoxy]quinoxaline-2,3-diamine has a molecular weight of 417.47 g/mol, XLogP of 4.84, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethoxyphenyl)-3-N-[4-(methylamino)phenoxy]quinoxaline-2,3-diamine is sourced from PubChem (CID 145134762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).