1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one

C23H28N6O3 — CID 139342829

IUPAC1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one
SMILESCn1c(=O)cnc2cc(N3CCOCC3)cc(OC3CCC(Nc4ncccn4)CC3)c21
InChIInChI=1S/C23H28N6O3/c1-28-21(30)15-26-19-13-17(29-9-11-31-12-10-29)14-20(22(19)28)32-18-5-3-16(4-6-18)27-23-24-7-2-8-25-23/h2,7-8,13-16,18H,3-6,9-12H2,1H3,(H,24,25,27)
InChIKeyBSWBZMHMYFHLNN-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.36
Rot. Bonds5

About 1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one

1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one (PubChem CID 139342829) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one
PubChem CID139342829
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one
SMILESCn1c(=O)cnc2cc(N3CCOCC3)cc(OC3CCC(Nc4ncccn4)CC3)c21
InChIInChI=1S/C23H28N6O3/c1-28-21(30)15-26-19-13-17(29-9-11-31-12-10-29)14-20(22(19)28)32-18-5-3-16(4-6-18)27-23-24-7-2-8-25-23/h2,7-8,13-16,18H,3-6,9-12H2,1H3,(H,24,25,27)
InChIKeyBSWBZMHMYFHLNN-UHFFFAOYSA-N
XLogP2.36
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one?
The IUPAC name of 1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one (CID 139342829) is 1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one.
What is the SMILES notation for 1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one?
The canonical SMILES for 1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one is Cn1c(=O)cnc2cc(N3CCOCC3)cc(OC3CCC(Nc4ncccn4)CC3)c21.
What is the InChIKey of 1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one?
The InChIKey is BSWBZMHMYFHLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-28-21(30)15-26-19-13-17(29-9-11-31-12-10-29)14-20(22(19)28)32-18-5-3-16(4-6-18)27-23-24-7-2-8-25-23/h2,7-8,13-16,18H,3-6,9-12H2,1H3,(H,24,25,27).
What are the key properties of 1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one?
1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one has a molecular weight of 436.52 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one is sourced from PubChem (CID 139342829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).