6-[3-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile

C27H24FN5O3 — CID 134442339

IUPAC6-[3-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCOc1ccc(COc2ccc(Nc3ccc4ncc(N5CCOCC5)nc4c3C#N)cc2F)cc1
InChIInChI=1S/C27H24FN5O3/c1-34-20-5-2-18(3-6-20)17-36-25-9-4-19(14-22(25)28)31-23-7-8-24-27(21(23)15-29)32-26(16-30-24)33-10-12-35-13-11-33/h2-9,14,16,31H,10-13,17H2,1H3
InChIKeyXHXHJFIVISTNQT-UHFFFAOYSA-N
MW485.52 g/mol
LogP4.81
Rot. Bonds7

About 6-[3-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile

6-[3-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile (PubChem CID 134442339) has the molecular formula C27H24FN5O3 and a molecular weight of 485.52 g/mol. Its IUPAC name is 6-[3-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile.

Molecular Properties

Compound Name6-[3-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
PubChem CID134442339
Molecular FormulaC27H24FN5O3
Molecular Weight485.52 g/mol
Exact Mass485.19
IUPAC Name6-[3-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCOc1ccc(COc2ccc(Nc3ccc4ncc(N5CCOCC5)nc4c3C#N)cc2F)cc1
InChIInChI=1S/C27H24FN5O3/c1-34-20-5-2-18(3-6-20)17-36-25-9-4-19(14-22(25)28)31-23-7-8-24-27(21(23)15-29)32-26(16-30-24)33-10-12-35-13-11-33/h2-9,14,16,31H,10-13,17H2,1H3
InChIKeyXHXHJFIVISTNQT-UHFFFAOYSA-N
XLogP4.81
TPSA92.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
6-[2-fluoro-5-(methylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 166795648
6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-(methylamino)quinoxaline-5-carbonitrile
CID 134442092
3-[2-(dimethylamino)ethoxy]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile
CID 134442346
6-[2-methyl-5-(propylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 166795668
3-[(1-benzylpiperidin-4-yl)amino]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile
CID 139557079
3-imidazol-1-yl-6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]quinoxaline-5-carbonitrile
CID 134441984
6-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-3-(4-propan-2-ylpiperazin-1-yl)quinoxaline-5-carbonitrile
CID 147873383
6-[[4-[(6-cyclopropyl-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 146737518
2-[(4-methoxyphenyl)methoxy]-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]benzonitrile
CID 157485501

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The IUPAC name of 6-[3-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile (CID 134442339) is 6-[3-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile.
What is the SMILES notation for 6-[3-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The canonical SMILES for 6-[3-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile is COc1ccc(COc2ccc(Nc3ccc4ncc(N5CCOCC5)nc4c3C#N)cc2F)cc1.
What is the InChIKey of 6-[3-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The InChIKey is XHXHJFIVISTNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O3/c1-34-20-5-2-18(3-6-20)17-36-25-9-4-19(14-22(25)28)31-23-7-8-24-27(21(23)15-29)32-26(16-30-24)33-10-12-35-13-11-33/h2-9,14,16,31H,10-13,17H2,1H3.
What are the key properties of 6-[3-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
6-[3-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile has a molecular weight of 485.52 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile is sourced from PubChem (CID 134442339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).