6-[2-fluoro-5-(methylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile

C20H19FN6OS — CID 166795648

IUPAC6-[2-fluoro-5-(methylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCSNc1ccc(F)c(Nc2ccc3ncc(N4CCOCC4)nc3c2C#N)c1
InChIInChI=1S/C20H19FN6OS/c1-29-26-13-2-3-15(21)18(10-13)24-16-4-5-17-20(14(16)11-22)25-19(12-23-17)27-6-8-28-9-7-27/h2-5,10,12,24,26H,6-9H2,1H3
InChIKeyXVZGANVKBCIZEM-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.91
Rot. Bonds5

About 6-[2-fluoro-5-(methylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile

6-[2-fluoro-5-(methylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile (PubChem CID 166795648) has the molecular formula C20H19FN6OS and a molecular weight of 410.48 g/mol. Its IUPAC name is 6-[2-fluoro-5-(methylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile.

Molecular Properties

Compound Name6-[2-fluoro-5-(methylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
PubChem CID166795648
Molecular FormulaC20H19FN6OS
Molecular Weight410.48 g/mol
Exact Mass410.13
IUPAC Name6-[2-fluoro-5-(methylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCSNc1ccc(F)c(Nc2ccc3ncc(N4CCOCC4)nc3c2C#N)c1
InChIInChI=1S/C20H19FN6OS/c1-29-26-13-2-3-15(21)18(10-13)24-16-4-5-17-20(14(16)11-22)25-19(12-23-17)27-6-8-28-9-7-27/h2-5,10,12,24,26H,6-9H2,1H3
InChIKeyXVZGANVKBCIZEM-UHFFFAOYSA-N
XLogP3.91
TPSA86.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[2-methyl-5-(propylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 166795668
6-[3-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 134442339
6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 134442347
6-[4-[(4-hydroxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 163767095
6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]-3-pyrrolidin-1-ylquinoxaline-5-carbonitrile
CID 139557076
4-[7-(3,5-difluorophenyl)quinoxalin-2-yl]morpholine
CID 67035153
5,6-diethyl-3-(3-fluoro-4-morpholin-4-ylanilino)pyridazine-4-carbonitrile
CID 133378832
1-(2-fluorophenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748155
14-(methylsulfanylamino)-5-(2-morpholin-4-ylethylamino)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one
CID 143383530
methyl 8-[1-(3-fluoro-4-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 129029975
6-[[4-[(6-cyclopropyl-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 146737518
4-cyano-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297534

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-5-(methylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The IUPAC name of 6-[2-fluoro-5-(methylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile (CID 166795648) is 6-[2-fluoro-5-(methylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile.
What is the SMILES notation for 6-[2-fluoro-5-(methylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The canonical SMILES for 6-[2-fluoro-5-(methylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile is CSNc1ccc(F)c(Nc2ccc3ncc(N4CCOCC4)nc3c2C#N)c1.
What is the InChIKey of 6-[2-fluoro-5-(methylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The InChIKey is XVZGANVKBCIZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6OS/c1-29-26-13-2-3-15(21)18(10-13)24-16-4-5-17-20(14(16)11-22)25-19(12-23-17)27-6-8-28-9-7-27/h2-5,10,12,24,26H,6-9H2,1H3.
What are the key properties of 6-[2-fluoro-5-(methylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
6-[2-fluoro-5-(methylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile has a molecular weight of 410.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-5-(methylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile is sourced from PubChem (CID 166795648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).