7-methoxy-N-(3-methylbutyl)-3-methylsulfanylquinoxalin-2-amine

C15H21N3OS — CID 118726519

IUPAC7-methoxy-N-(3-methylbutyl)-3-methylsulfanylquinoxalin-2-amine
SMILESCOc1ccc2nc(SC)c(NCCC(C)C)nc2c1
InChIInChI=1S/C15H21N3OS/c1-10(2)7-8-16-14-15(20-4)18-12-6-5-11(19-3)9-13(12)17-14/h5-6,9-10H,7-8H2,1-4H3,(H,16,17)
InChIKeyIEWAXHAXBUTWDP-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.82
Rot. Bonds6

About 7-methoxy-N-(3-methylbutyl)-3-methylsulfanylquinoxalin-2-amine

7-methoxy-N-(3-methylbutyl)-3-methylsulfanylquinoxalin-2-amine (PubChem CID 118726519) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 7-methoxy-N-(3-methylbutyl)-3-methylsulfanylquinoxalin-2-amine.

Molecular Properties

Compound Name7-methoxy-N-(3-methylbutyl)-3-methylsulfanylquinoxalin-2-amine
PubChem CID118726519
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name7-methoxy-N-(3-methylbutyl)-3-methylsulfanylquinoxalin-2-amine
SMILESCOc1ccc2nc(SC)c(NCCC(C)C)nc2c1
InChIInChI=1S/C15H21N3OS/c1-10(2)7-8-16-14-15(20-4)18-12-6-5-11(19-3)9-13(12)17-14/h5-6,9-10H,7-8H2,1-4H3,(H,16,17)
InChIKeyIEWAXHAXBUTWDP-UHFFFAOYSA-N
XLogP3.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N,N-dimethyl-3-methylsulfanylquinoxalin-2-amine
CID 118726440
N-butyl-3-chloro-7-methoxyquinoxalin-2-amine
CID 86055666
N-[3-(hydroxyamino)-6-methoxyquinoxalin-2-yl]hydroxylamine
CID 135778350
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
4-N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112875821
2-but-3-enyl-6-methoxy-3-propan-2-ylsulfanylquinoxaline
CID 121418921
2-methoxy-7-[(2R)-1-phenylpropan-2-yl]oxyphenazine
CID 155707776
2-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112924535
7-methoxy-3-(propan-2-yloxymethyl)-N-propylquinolin-2-amine
CID 62193913
1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol
CID 106541080
1-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106127613
N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6,7-dichloro-3-methylsulfanylquinoxalin-2-amine
CID 178135624

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(3-methylbutyl)-3-methylsulfanylquinoxalin-2-amine?
The IUPAC name of 7-methoxy-N-(3-methylbutyl)-3-methylsulfanylquinoxalin-2-amine (CID 118726519) is 7-methoxy-N-(3-methylbutyl)-3-methylsulfanylquinoxalin-2-amine.
What is the SMILES notation for 7-methoxy-N-(3-methylbutyl)-3-methylsulfanylquinoxalin-2-amine?
The canonical SMILES for 7-methoxy-N-(3-methylbutyl)-3-methylsulfanylquinoxalin-2-amine is COc1ccc2nc(SC)c(NCCC(C)C)nc2c1.
What is the InChIKey of 7-methoxy-N-(3-methylbutyl)-3-methylsulfanylquinoxalin-2-amine?
The InChIKey is IEWAXHAXBUTWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-10(2)7-8-16-14-15(20-4)18-12-6-5-11(19-3)9-13(12)17-14/h5-6,9-10H,7-8H2,1-4H3,(H,16,17).
What are the key properties of 7-methoxy-N-(3-methylbutyl)-3-methylsulfanylquinoxalin-2-amine?
7-methoxy-N-(3-methylbutyl)-3-methylsulfanylquinoxalin-2-amine has a molecular weight of 291.42 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(3-methylbutyl)-3-methylsulfanylquinoxalin-2-amine is sourced from PubChem (CID 118726519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).