1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one

C24H27N5O4 — CID 139331510

IUPAC1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one
SMILESCn1c(=O)cnc2cc(N3CC4CC(C3)O4)cc(OC3CCC(Oc4ncccn4)CC3)c21
InChIInChI=1S/C24H27N5O4/c1-28-22(30)12-27-20-9-15(29-13-18-11-19(14-29)31-18)10-21(23(20)28)32-16-3-5-17(6-4-16)33-24-25-7-2-8-26-24/h2,7-10,12,16-19H,3-6,11,13-14H2,1H3
InChIKeyAWSTURYYAQDOHB-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.47
Rot. Bonds5

About 1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one

1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one (PubChem CID 139331510) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one
PubChem CID139331510
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one
SMILESCn1c(=O)cnc2cc(N3CC4CC(C3)O4)cc(OC3CCC(Oc4ncccn4)CC3)c21
InChIInChI=1S/C24H27N5O4/c1-28-22(30)12-27-20-9-15(29-13-18-11-19(14-29)31-18)10-21(23(20)28)32-16-3-5-17(6-4-16)33-24-25-7-2-8-26-24/h2,7-10,12,16-19H,3-6,11,13-14H2,1H3
InChIKeyAWSTURYYAQDOHB-UHFFFAOYSA-N
XLogP2.47
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-cycloheptyloxy-1-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoxalin-2-one
CID 139342863
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
6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 176919221
1-methyl-8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one
CID 139342847
8-[4-[(5-methoxypyrimidin-2-yl)methyl]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one
CID 159201915
N-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide
CID 139342811
4-[4-(4-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 176919262
molecular hydrogen;7-morpholin-4-ylquinazolin-5-ol;(4-pyrimidin-2-yloxycyclohexyl) methanesulfonate;4-[5-(4-pyrimidin-2-yloxycyclohexyl)oxyquinazolin-7-yl]morpholine
CID 162183203
2-[2-(dimethylamino)-3-[4-(2-methylpyrimidin-4-yl)oxycyclohexyl]oxy-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]iminoacetaldehyde
CID 167296713
2-[[4-[3-cyano-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[1,5-a]pyridin-4-yl]oxycyclohexyl]amino]-N-methylpyrimidine-4-carboxamide
CID 176919261
ethyl 4-pyrimidin-2-yloxycyclohexane-1-carboxylate
CID 86642054

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one?
The IUPAC name of 1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one (CID 139331510) is 1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one.
What is the SMILES notation for 1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one?
The canonical SMILES for 1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one is Cn1c(=O)cnc2cc(N3CC4CC(C3)O4)cc(OC3CCC(Oc4ncccn4)CC3)c21.
What is the InChIKey of 1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one?
The InChIKey is AWSTURYYAQDOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-28-22(30)12-27-20-9-15(29-13-18-11-19(14-29)31-18)10-21(23(20)28)32-16-3-5-17(6-4-16)33-24-25-7-2-8-26-24/h2,7-10,12,16-19H,3-6,11,13-14H2,1H3.
What are the key properties of 1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one?
1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one has a molecular weight of 449.51 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one is sourced from PubChem (CID 139331510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).