6-methoxy-N,N-dimethyl-3-methylsulfanylquinoxalin-2-amine

C12H15N3OS — CID 118726440

IUPAC6-methoxy-N,N-dimethyl-3-methylsulfanylquinoxalin-2-amine
SMILESCOc1ccc2nc(N(C)C)c(SC)nc2c1
InChIInChI=1S/C12H15N3OS/c1-15(2)11-12(17-4)14-10-7-8(16-3)5-6-9(10)13-11/h5-7H,1-4H3
InChIKeyXYKNTECEZGHJFW-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.43
Rot. Bonds3

About 6-methoxy-N,N-dimethyl-3-methylsulfanylquinoxalin-2-amine

6-methoxy-N,N-dimethyl-3-methylsulfanylquinoxalin-2-amine (PubChem CID 118726440) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 6-methoxy-N,N-dimethyl-3-methylsulfanylquinoxalin-2-amine.

Molecular Properties

Compound Name6-methoxy-N,N-dimethyl-3-methylsulfanylquinoxalin-2-amine
PubChem CID118726440
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name6-methoxy-N,N-dimethyl-3-methylsulfanylquinoxalin-2-amine
SMILESCOc1ccc2nc(N(C)C)c(SC)nc2c1
InChIInChI=1S/C12H15N3OS/c1-15(2)11-12(17-4)14-10-7-8(16-3)5-6-9(10)13-11/h5-7H,1-4H3
InChIKeyXYKNTECEZGHJFW-UHFFFAOYSA-N
XLogP2.43
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxycyclobuta[b]quinoxaline-1,2-diol
CID 146025256
7-methoxy-N-(3-methylbutyl)-3-methylsulfanylquinoxalin-2-amine
CID 118726519
N-[3-(hydroxyamino)-6-methoxyquinoxalin-2-yl]hydroxylamine
CID 135778350
8-methoxyphenazin-1-ol
CID 138967481
3-[(6-methoxy-3-methylquinoxalin-2-yl)-methylamino]-2-methylpropanoic acid
CID 122064684
2-ethenyl-5-methoxy-N,N-dimethylaniline
CID 170076614
2-but-3-enyl-6-methoxy-3-propan-2-ylsulfanylquinoxaline
CID 121418921
2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine
CID 68879668
2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane
CID 91560240
ethene;6-methoxyquinoline
CID 174599262
2-methoxy-3-methylsulfanylquinoxaline
CID 119082248
1-ethenyl-2-fluoro-4-methoxybenzene
CID 119031990

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,N-dimethyl-3-methylsulfanylquinoxalin-2-amine?
The IUPAC name of 6-methoxy-N,N-dimethyl-3-methylsulfanylquinoxalin-2-amine (CID 118726440) is 6-methoxy-N,N-dimethyl-3-methylsulfanylquinoxalin-2-amine.
What is the SMILES notation for 6-methoxy-N,N-dimethyl-3-methylsulfanylquinoxalin-2-amine?
The canonical SMILES for 6-methoxy-N,N-dimethyl-3-methylsulfanylquinoxalin-2-amine is COc1ccc2nc(N(C)C)c(SC)nc2c1.
What is the InChIKey of 6-methoxy-N,N-dimethyl-3-methylsulfanylquinoxalin-2-amine?
The InChIKey is XYKNTECEZGHJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-15(2)11-12(17-4)14-10-7-8(16-3)5-6-9(10)13-11/h5-7H,1-4H3.
What are the key properties of 6-methoxy-N,N-dimethyl-3-methylsulfanylquinoxalin-2-amine?
6-methoxy-N,N-dimethyl-3-methylsulfanylquinoxalin-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,N-dimethyl-3-methylsulfanylquinoxalin-2-amine is sourced from PubChem (CID 118726440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).