methyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate

C26H31N5O4 — CID 157357366

IUPACmethyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(CC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1
InChIInChI=1S/C26H31N5O4/c1-17-13-22(26(32)33-2)30-24(29-17)14-18-3-5-20(6-4-18)35-23-16-19(31-9-11-34-12-10-31)15-21-25(23)28-8-7-27-21/h7-8,13,15-16,18,20H,3-6,9-12,14H2,1-2H3
InChIKeyXHWNRNVMCNXZLE-UHFFFAOYSA-N
MW477.57 g/mol
LogP3.53
Rot. Bonds6

About methyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate

methyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate (PubChem CID 157357366) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is methyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate
PubChem CID157357366
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Namemethyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(CC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1
InChIInChI=1S/C26H31N5O4/c1-17-13-22(26(32)33-2)30-24(29-17)14-18-3-5-20(6-4-18)35-23-16-19(31-9-11-34-12-10-31)15-21-25(23)28-8-7-27-21/h7-8,13,15-16,18,20H,3-6,9-12,14H2,1-2H3
InChIKeyXHWNRNVMCNXZLE-UHFFFAOYSA-N
XLogP3.53
TPSA99.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate with MolForge

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Related Compounds

N-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]acetamide
CID 121335573
methyl 4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexane-1-carboxylate
CID 86282798
4-[8-[4-[(2-methylpyrimidin-5-yl)methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 158858413
N,N-dimethyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-amine
CID 147864127
4-[8-[4-[(2,5-dimethylpyrimidin-4-yl)methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 158204207
4-[8-[4-[(2-methoxy-3-pyridinyl)methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 159654436
N,6-dimethyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;4-[8-[4-[(5,6-dimethylpyrazin-2-yl)methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;3-[8-[4-[[6-(methoxymethyl)-2-methylpyrimidin-4-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]-6-oxa-3-azabicyclo[3.1.1]heptane;N-methyl-6-[[4-[7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinoxalin-5-yl]oxycyclohexyl]methyl]pyrimidine-4-carboxamide
CID 161374105
4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide
CID 90443995
4-[8-[4-[(2-chloropyrimidin-4-yl)methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 157161500
2-[5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-2-yl]propan-2-ol
CID 161213116
5,7-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 121335896
5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-2-amine
CID 90454133

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate (CID 157357366) is methyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate is COC(=O)c1cc(C)nc(CC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.
What is the InChIKey of methyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate?
The InChIKey is XHWNRNVMCNXZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-17-13-22(26(32)33-2)30-24(29-17)14-18-3-5-20(6-4-18)35-23-16-19(31-9-11-34-12-10-31)15-21-25(23)28-8-7-27-21/h7-8,13,15-16,18,20H,3-6,9-12,14H2,1-2H3.
What are the key properties of methyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate?
methyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate has a molecular weight of 477.57 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate is sourced from PubChem (CID 157357366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).