8-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one

C25H31FN6O3 — CID 139342851

IUPAC8-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one
SMILESCCc1ncnc(NC2CCC(Oc3cc(N4CCOCC4)cc4ncc(=O)n(C)c34)CC2)c1F
InChIInChI=1S/C25H31FN6O3/c1-3-19-23(26)25(29-15-28-19)30-16-4-6-18(7-5-16)35-21-13-17(32-8-10-34-11-9-32)12-20-24(21)31(2)22(33)14-27-20/h12-16,18H,3-11H2,1-2H3,(H,28,29,30)
InChIKeyPDGIULQSQWVNLN-UHFFFAOYSA-N
MW482.56 g/mol
LogP3.06
Rot. Bonds6

About 8-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one

8-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one (PubChem CID 139342851) has the molecular formula C25H31FN6O3 and a molecular weight of 482.56 g/mol. Its IUPAC name is 8-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one.

Molecular Properties

Compound Name8-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one
PubChem CID139342851
Molecular FormulaC25H31FN6O3
Molecular Weight482.56 g/mol
Exact Mass482.24
IUPAC Name8-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one
SMILESCCc1ncnc(NC2CCC(Oc3cc(N4CCOCC4)cc4ncc(=O)n(C)c34)CC2)c1F
InChIInChI=1S/C25H31FN6O3/c1-3-19-23(26)25(29-15-28-19)30-16-4-6-18(7-5-16)35-21-13-17(32-8-10-34-11-9-32)12-20-24(21)31(2)22(33)14-27-20/h12-16,18H,3-11H2,1-2H3,(H,28,29,30)
InChIKeyPDGIULQSQWVNLN-UHFFFAOYSA-N
XLogP3.06
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one?
The IUPAC name of 8-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one (CID 139342851) is 8-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one.
What is the SMILES notation for 8-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one?
The canonical SMILES for 8-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one is CCc1ncnc(NC2CCC(Oc3cc(N4CCOCC4)cc4ncc(=O)n(C)c34)CC2)c1F.
What is the InChIKey of 8-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one?
The InChIKey is PDGIULQSQWVNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O3/c1-3-19-23(26)25(29-15-28-19)30-16-4-6-18(7-5-16)35-21-13-17(32-8-10-34-11-9-32)12-20-24(21)31(2)22(33)14-27-20/h12-16,18H,3-11H2,1-2H3,(H,28,29,30).
What are the key properties of 8-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one?
8-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one has a molecular weight of 482.56 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one is sourced from PubChem (CID 139342851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).