2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine

C18H20N4O2 — CID 68879668

IUPAC2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine
SMILESCOc1cc(Nc2nc3ccccc3nc2N(C)C)cc(OC)c1
InChIInChI=1S/C18H20N4O2/c1-22(2)18-17(20-15-7-5-6-8-16(15)21-18)19-12-9-13(23-3)11-14(10-12)24-4/h5-11H,1-4H3,(H,19,20)
InChIKeyKOWBDFNPGHSHJF-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.46
Rot. Bonds5

About 2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine

2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine (PubChem CID 68879668) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine
PubChem CID68879668
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine
SMILESCOc1cc(Nc2nc3ccccc3nc2N(C)C)cc(OC)c1
InChIInChI=1S/C18H20N4O2/c1-22(2)18-17(20-15-7-5-6-8-16(15)21-18)19-12-9-13(23-3)11-14(10-12)24-4/h5-11H,1-4H3,(H,19,20)
InChIKeyKOWBDFNPGHSHJF-UHFFFAOYSA-N
XLogP3.46
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide
CID 151992282
2-N-(3,5-dimethoxyphenyl)-3-N-[4-(methylamino)phenoxy]quinoxaline-2,3-diamine
CID 145134762
N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide
CID 143442920
3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine
CID 141168476
1-[4-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]phenyl]ethanone
CID 68882323
3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine
CID 141211320
2-N-(3,5-dimethoxyphenyl)-3-N-[4-(trifluoromethyl)phenyl]sulfanylquinoxaline-2,3-diamine
CID 143628600
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-2-(propan-2-ylamino)benzenesulfonamide
CID 174548611
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1402865
2-(3,5-dimethoxyanilino)-3-[3-[(3-fluorobenzoyl)amino]-N-sulfinoanilino]quinoxaline
CID 175266326
2-(3,5-dimethoxyanilino)-3-[3-[[2-(propan-2-ylamino)acetyl]amino]-N-sulfinoanilino]quinoxaline
CID 174609769
2-(3,5-dimethoxyanilino)-3-[3-[(2-methylbenzoyl)amino]-N-sulfinatoanilino]quinoxaline
CID 175266289

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine?
The IUPAC name of 2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine (CID 68879668) is 2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine.
What is the SMILES notation for 2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine?
The canonical SMILES for 2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine is COc1cc(Nc2nc3ccccc3nc2N(C)C)cc(OC)c1.
What is the InChIKey of 2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine?
The InChIKey is KOWBDFNPGHSHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-22(2)18-17(20-15-7-5-6-8-16(15)21-18)19-12-9-13(23-3)11-14(10-12)24-4/h5-11H,1-4H3,(H,19,20).
What are the key properties of 2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine?
2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine has a molecular weight of 324.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine is sourced from PubChem (CID 68879668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).