6-[2-methyl-5-(propylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile

C23H26N6OS — CID 166795668

IUPAC6-[2-methyl-5-(propylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCCCSNc1ccc(C)c(Nc2ccc3ncc(N4CCOCC4)nc3c2C#N)c1
InChIInChI=1S/C23H26N6OS/c1-3-12-31-28-17-5-4-16(2)21(13-17)26-19-6-7-20-23(18(19)14-24)27-22(15-25-20)29-8-10-30-11-9-29/h4-7,13,15,26,28H,3,8-12H2,1-2H3
InChIKeyAJKBJUULXTUFAS-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.86
Rot. Bonds7

About 6-[2-methyl-5-(propylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile

6-[2-methyl-5-(propylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile (PubChem CID 166795668) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is 6-[2-methyl-5-(propylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile.

Molecular Properties

Compound Name6-[2-methyl-5-(propylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
PubChem CID166795668
Molecular FormulaC23H26N6OS
Molecular Weight434.57 g/mol
Exact Mass434.19
IUPAC Name6-[2-methyl-5-(propylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCCCSNc1ccc(C)c(Nc2ccc3ncc(N4CCOCC4)nc3c2C#N)c1
InChIInChI=1S/C23H26N6OS/c1-3-12-31-28-17-5-4-16(2)21(13-17)26-19-6-7-20-23(18(19)14-24)27-22(15-25-20)29-8-10-30-11-9-29/h4-7,13,15,26,28H,3,8-12H2,1-2H3
InChIKeyAJKBJUULXTUFAS-UHFFFAOYSA-N
XLogP4.86
TPSA86.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-[2-fluoro-5-(methylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 166795648
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-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 134442339
6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]-3-pyrrolidin-1-ylquinoxaline-5-carbonitrile
CID 139557076
4-methyl-6-morpholin-4-yl-2-(propylsulfanylmethylsulfanyl)pyridine-3-carbonitrile
CID 118050425
N-butyl-6-morpholin-4-ylpyridin-3-amine
CID 43724794
6-[[4-[(6-cyclopropyl-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 146737518
2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline
CID 67035841
N-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869966
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 31235022
4-butoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297290

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-5-(propylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The IUPAC name of 6-[2-methyl-5-(propylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile (CID 166795668) is 6-[2-methyl-5-(propylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile.
What is the SMILES notation for 6-[2-methyl-5-(propylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The canonical SMILES for 6-[2-methyl-5-(propylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile is CCCSNc1ccc(C)c(Nc2ccc3ncc(N4CCOCC4)nc3c2C#N)c1.
What is the InChIKey of 6-[2-methyl-5-(propylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The InChIKey is AJKBJUULXTUFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-3-12-31-28-17-5-4-16(2)21(13-17)26-19-6-7-20-23(18(19)14-24)27-22(15-25-20)29-8-10-30-11-9-29/h4-7,13,15,26,28H,3,8-12H2,1-2H3.
What are the key properties of 6-[2-methyl-5-(propylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
6-[2-methyl-5-(propylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile has a molecular weight of 434.57 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-5-(propylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile is sourced from PubChem (CID 166795668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).