[3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholin-4-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone

C24H20F3N5O2S — CID 10185320

IUPAC[3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholin-4-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1nc(C(=O)N2CCOCC2CNc2cnc3cc(F)c(F)cc3n2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H20F3N5O2S/c1-13-30-22(23(35-13)14-2-4-15(25)5-3-14)24(33)32-6-7-34-12-16(32)10-29-21-11-28-19-8-17(26)18(27)9-20(19)31-21/h2-5,8-9,11,16H,6-7,10,12H2,1H3,(H,29,31)
InChIKeyYZCREKHZHQVZKX-UHFFFAOYSA-N
MW499.52 g/mol
LogP4.43
Rot. Bonds5

About [3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholin-4-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone

[3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholin-4-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone (PubChem CID 10185320) has the molecular formula C24H20F3N5O2S and a molecular weight of 499.52 g/mol. Its IUPAC name is [3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholin-4-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholin-4-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
PubChem CID10185320
Molecular FormulaC24H20F3N5O2S
Molecular Weight499.52 g/mol
Exact Mass499.13
IUPAC Name[3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholin-4-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1nc(C(=O)N2CCOCC2CNc2cnc3cc(F)c(F)cc3n2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H20F3N5O2S/c1-13-30-22(23(35-13)14-2-4-15(25)5-3-14)24(33)32-6-7-34-12-16(32)10-29-21-11-28-19-8-17(26)18(27)9-20(19)31-21/h2-5,8-9,11,16H,6-7,10,12H2,1H3,(H,29,31)
InChIKeyYZCREKHZHQVZKX-UHFFFAOYSA-N
XLogP4.43
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholin-4-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The IUPAC name of [3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholin-4-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone (CID 10185320) is [3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholin-4-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholin-4-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholin-4-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone is Cc1nc(C(=O)N2CCOCC2CNc2cnc3cc(F)c(F)cc3n2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of [3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholin-4-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The InChIKey is YZCREKHZHQVZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2S/c1-13-30-22(23(35-13)14-2-4-15(25)5-3-14)24(33)32-6-7-34-12-16(32)10-29-21-11-28-19-8-17(26)18(27)9-20(19)31-21/h2-5,8-9,11,16H,6-7,10,12H2,1H3,(H,29,31).
What are the key properties of [3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholin-4-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
[3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholin-4-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone has a molecular weight of 499.52 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholin-4-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 10185320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).