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

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

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Related Compounds

N-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide
CID 139342811
1-methyl-8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one
CID 139342847
1-methyl-8-[4-(5-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one
CID 139342834
N-[4-(3-butyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 90443908
8-[4-[(5-methoxypyrimidin-2-yl)methyl]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one
CID 159201915
1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one
CID 139331510
5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 90454078
N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 121335854
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile
CID 90443904
8-cycloheptyloxy-1-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoxalin-2-one
CID 139342863
3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335611
3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335616

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).