tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoate;4,4-dimethyl-1-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pentan-2-one;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoic acid;4-[8-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine

C106H126F5N13O13 — CID 157339163

IUPACtert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoate;4,4-dimethyl-1-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pentan-2-one;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoic acid;4-[8-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
SMILESCC(C)(C)CC(=O)CC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.CC(C)(C)OC(=O)c1cc(CC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ccc1F.FC(F)(F)c1ccc(CC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1.O=C(O)c1cc(CC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ccc1F
InChIInChI=1S/C30H36FN3O4.C26H28FN3O4.C25H27F3N4O2.C25H35N3O3/c1-30(2,3)38-29(35)24-17-21(6-9-25(24)31)16-20-4-7-23(8-5-20)37-27-19-22(34-12-14-36-15-13-34)18-26-28(27)33-11-10-32-26;27-22-6-3-18(14-21(22)26(31)32)13-17-1-4-20(5-2-17)34-24-16-19(30-9-11-33-12-10-30)15-23-25(24)29-8-7-28-23;26-25(27,28)23-6-3-18(16-31-23)13-17-1-4-20(5-2-17)34-22-15-19(32-9-11-33-12-10-32)14-21-24(22)30-8-7-29-21;1-25(2,3)17-20(29)14-18-4-6-21(7-5-18)31-23-16-19(28-10-12-30-13-11-28)15-22-24(23)27-9-8-26-22/h6,9-11,17-20,23H,4-5,7-8,12-16H2,1-3H3;3,6-8,14-17,20H,1-2,4-5,9-13H2,(H,31,32);3,6-8,14-17,20H,1-2,4-5,9-13H2;8-9,15-16,18,21H,4-7,10-14,17H2,1-3H3
InChIKeyBGEQWIVYEBOUIY-UHFFFAOYSA-N
MW1885.24 g/mol
LogP20.08
Rot. Bonds23

About tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoate;4,4-dimethyl-1-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pentan-2-one;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoic acid;4-[8-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine

tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoate;4,4-dimethyl-1-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pentan-2-one;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoic acid;4-[8-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine (PubChem CID 157339163) has the molecular formula C106H126F5N13O13 and a molecular weight of 1885.24 g/mol. Its IUPAC name is tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoate;4,4-dimethyl-1-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pentan-2-one;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoic acid;4-[8-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine.

Molecular Properties

Compound Nametert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoate;4,4-dimethyl-1-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pentan-2-one;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoic acid;4-[8-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
PubChem CID157339163
Molecular FormulaC106H126F5N13O13
Molecular Weight1885.24 g/mol
Exact Mass1883.95
IUPAC Nametert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoate;4,4-dimethyl-1-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pentan-2-one;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoic acid;4-[8-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
SMILESCC(C)(C)CC(=O)CC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.CC(C)(C)OC(=O)c1cc(CC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ccc1F.FC(F)(F)c1ccc(CC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1.O=C(O)c1cc(CC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ccc1F
InChIInChI=1S/C30H36FN3O4.C26H28FN3O4.C25H27F3N4O2.C25H35N3O3/c1-30(2,3)38-29(35)24-17-21(6-9-25(24)31)16-20-4-7-23(8-5-20)37-27-19-22(34-12-14-36-15-13-34)18-26-28(27)33-11-10-32-26;27-22-6-3-18(14-21(22)26(31)32)13-17-1-4-20(5-2-17)34-24-16-19(30-9-11-33-12-10-30)15-23-25(24)29-8-7-28-23;26-25(27,28)23-6-3-18(16-31-23)13-17-1-4-20(5-2-17)34-22-15-19(32-9-11-33-12-10-32)14-21-24(22)30-8-7-29-21;1-25(2,3)17-20(29)14-18-4-6-21(7-5-18)31-23-16-19(28-10-12-30-13-11-28)15-22-24(23)27-9-8-26-22/h6,9-11,17-20,23H,4-5,7-8,12-16H2,1-3H3;3,6-8,14-17,20H,1-2,4-5,9-13H2,(H,31,32);3,6-8,14-17,20H,1-2,4-5,9-13H2;8-9,15-16,18,21H,4-7,10-14,17H2,1-3H3
InChIKeyBGEQWIVYEBOUIY-UHFFFAOYSA-N
XLogP20.08
TPSA283.48 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001885.24
LogP ≤ 520.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoate;4,4-dimethyl-1-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pentan-2-one;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoic acid;4-[8-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoate;4,4-dimethyl-1-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pentan-2-one;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoic acid;4-[8-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine?
The IUPAC name of tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoate;4,4-dimethyl-1-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pentan-2-one;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoic acid;4-[8-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine (CID 157339163) is tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoate;4,4-dimethyl-1-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pentan-2-one;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoic acid;4-[8-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine.
What is the SMILES notation for tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoate;4,4-dimethyl-1-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pentan-2-one;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoic acid;4-[8-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine?
The canonical SMILES for tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoate;4,4-dimethyl-1-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pentan-2-one;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoic acid;4-[8-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine is CC(C)(C)CC(=O)CC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.CC(C)(C)OC(=O)c1cc(CC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ccc1F.FC(F)(F)c1ccc(CC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1.O=C(O)c1cc(CC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ccc1F.
What is the InChIKey of tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoate;4,4-dimethyl-1-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pentan-2-one;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoic acid;4-[8-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine?
The InChIKey is BGEQWIVYEBOUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FN3O4.C26H28FN3O4.C25H27F3N4O2.C25H35N3O3/c1-30(2,3)38-29(35)24-17-21(6-9-25(24)31)16-20-4-7-23(8-5-20)37-27-19-22(34-12-14-36-15-13-34)18-26-28(27)33-11-10-32-26;27-22-6-3-18(14-21(22)26(31)32)13-17-1-4-20(5-2-17)34-24-16-19(30-9-11-33-12-10-30)15-23-25(24)29-8-7-28-23;26-25(27,28)23-6-3-18(16-31-23)13-17-1-4-20(5-2-17)34-22-15-19(32-9-11-33-12-10-32)14-21-24(22)30-8-7-29-21;1-25(2,3)17-20(29)14-18-4-6-21(7-5-18)31-23-16-19(28-10-12-30-13-11-28)15-22-24(23)27-9-8-26-22/h6,9-11,17-20,23H,4-5,7-8,12-16H2,1-3H3;3,6-8,14-17,20H,1-2,4-5,9-13H2,(H,31,32);3,6-8,14-17,20H,1-2,4-5,9-13H2;8-9,15-16,18,21H,4-7,10-14,17H2,1-3H3.
What are the key properties of tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoate;4,4-dimethyl-1-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pentan-2-one;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoic acid;4-[8-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine?
tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoate;4,4-dimethyl-1-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pentan-2-one;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoic acid;4-[8-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine has a molecular weight of 1885.24 g/mol, XLogP of 20.08, 23 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoate;4,4-dimethyl-1-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pentan-2-one;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]benzoic acid;4-[8-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine is sourced from PubChem (CID 157339163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).