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

C25H31N5O4 — CID 159201915

IUPAC8-[4-[(5-methoxypyrimidin-2-yl)methyl]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one
SMILESCOc1cnc(CC2CCC(Oc3cc(N4CCOCC4)cc4ncc(=O)n(C)c34)CC2)nc1
InChIInChI=1S/C25H31N5O4/c1-29-24(31)16-26-21-12-18(30-7-9-33-10-8-30)13-22(25(21)29)34-19-5-3-17(4-6-19)11-23-27-14-20(32-2)15-28-23/h12-17,19H,3-11H2,1-2H3
InChIKeyQUSGSLDAPLOSJG-UHFFFAOYSA-N
MW465.55 g/mol
LogP2.75
Rot. Bonds6

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

8-[4-[(5-methoxypyrimidin-2-yl)methyl]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one (PubChem CID 159201915) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 8-[4-[(5-methoxypyrimidin-2-yl)methyl]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one.

Molecular Properties

Compound Name8-[4-[(5-methoxypyrimidin-2-yl)methyl]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one
PubChem CID159201915
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC Name8-[4-[(5-methoxypyrimidin-2-yl)methyl]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one
SMILESCOc1cnc(CC2CCC(Oc3cc(N4CCOCC4)cc4ncc(=O)n(C)c34)CC2)nc1
InChIInChI=1S/C25H31N5O4/c1-29-24(31)16-26-21-12-18(30-7-9-33-10-8-30)13-22(25(21)29)34-19-5-3-17(4-6-19)11-23-27-14-20(32-2)15-28-23/h12-17,19H,3-11H2,1-2H3
InChIKeyQUSGSLDAPLOSJG-UHFFFAOYSA-N
XLogP2.75
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 8-[4-[(5-methoxypyrimidin-2-yl)methyl]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one with MolForge

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Related Compounds

1-methyl-8-[4-(5-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one
CID 139342834
1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one
CID 139342829
1-methyl-8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one
CID 139342847
N-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide
CID 139342811
8-cycloheptyloxy-1-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoxalin-2-one
CID 139342863
1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one
CID 139331510
methyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate
CID 157357366
4-[8-[4-[(2-methylpyrimidin-5-yl)methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 158858413
4-[8-[4-[(2-methoxy-3-pyridinyl)methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 159654436
N,N-dimethyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-amine
CID 147864127
N-methyl-2-[[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;molecular hydrogen
CID 159374794
2-[5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-2-yl]propan-2-ol
CID 161213116

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(5-methoxypyrimidin-2-yl)methyl]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one?
The IUPAC name of 8-[4-[(5-methoxypyrimidin-2-yl)methyl]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one (CID 159201915) is 8-[4-[(5-methoxypyrimidin-2-yl)methyl]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one.
What is the SMILES notation for 8-[4-[(5-methoxypyrimidin-2-yl)methyl]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one?
The canonical SMILES for 8-[4-[(5-methoxypyrimidin-2-yl)methyl]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one is COc1cnc(CC2CCC(Oc3cc(N4CCOCC4)cc4ncc(=O)n(C)c34)CC2)nc1.
What is the InChIKey of 8-[4-[(5-methoxypyrimidin-2-yl)methyl]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one?
The InChIKey is QUSGSLDAPLOSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-29-24(31)16-26-21-12-18(30-7-9-33-10-8-30)13-22(25(21)29)34-19-5-3-17(4-6-19)11-23-27-14-20(32-2)15-28-23/h12-17,19H,3-11H2,1-2H3.
What are the key properties of 8-[4-[(5-methoxypyrimidin-2-yl)methyl]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one?
8-[4-[(5-methoxypyrimidin-2-yl)methyl]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one has a molecular weight of 465.55 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(5-methoxypyrimidin-2-yl)methyl]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one is sourced from PubChem (CID 159201915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).