5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;7-morpholin-4-ylquinoxalin-5-ol

C57H66BrN15O7 — CID 159243023

IUPAC5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;7-morpholin-4-ylquinoxalin-5-ol
SMILESBrc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.COc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.Oc1cc(N2CCOCC2)cc2nccnc12
InChIInChI=1S/C23H28N6O3.C22H25BrN6O2.C12H13N3O2/c1-30-19-14-26-23(27-15-19)28-16-2-4-18(5-3-16)32-21-13-17(29-8-10-31-11-9-29)12-20-22(21)25-7-6-24-20;23-15-13-26-22(27-14-15)28-16-1-3-18(4-2-16)31-20-12-17(29-7-9-30-10-8-29)11-19-21(20)25-6-5-24-19;16-11-8-9(15-3-5-17-6-4-15)7-10-12(11)14-2-1-13-10/h6-7,12-16,18H,2-5,8-11H2,1H3,(H,26,27,28);5-6,11-14,16,18H,1-4,7-10H2,(H,26,27,28);1-2,7-8,16H,3-6H2
InChIKeyKUIHUGKIVRCFBI-UHFFFAOYSA-N
MW1153.16 g/mol
LogP8.06
Rot. Bonds12

About 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;7-morpholin-4-ylquinoxalin-5-ol

5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;7-morpholin-4-ylquinoxalin-5-ol (PubChem CID 159243023) has the molecular formula C57H66BrN15O7 and a molecular weight of 1153.16 g/mol. Its IUPAC name is 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;7-morpholin-4-ylquinoxalin-5-ol.

Molecular Properties

Compound Name5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;7-morpholin-4-ylquinoxalin-5-ol
PubChem CID159243023
Molecular FormulaC57H66BrN15O7
Molecular Weight1153.16 g/mol
Exact Mass1151.45
IUPAC Name5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;7-morpholin-4-ylquinoxalin-5-ol
SMILESBrc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.COc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.Oc1cc(N2CCOCC2)cc2nccnc12
InChIInChI=1S/C23H28N6O3.C22H25BrN6O2.C12H13N3O2/c1-30-19-14-26-23(27-15-19)28-16-2-4-18(5-3-16)32-21-13-17(29-8-10-31-11-9-29)12-20-22(21)25-7-6-24-20;23-15-13-26-22(27-14-15)28-16-1-3-18(4-2-16)31-20-12-17(29-7-9-30-10-8-29)11-19-21(20)25-6-5-24-19;16-11-8-9(15-3-5-17-6-4-15)7-10-12(11)14-2-1-13-10/h6-7,12-16,18H,2-5,8-11H2,1H3,(H,26,27,28);5-6,11-14,16,18H,1-4,7-10H2,(H,26,27,28);1-2,7-8,16H,3-6H2
InChIKeyKUIHUGKIVRCFBI-UHFFFAOYSA-N
XLogP8.06
TPSA238.29 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001153.16
LogP ≤ 58.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;7-morpholin-4-ylquinoxalin-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;7-morpholin-4-ylquinoxalin-5-ol?
The IUPAC name of 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;7-morpholin-4-ylquinoxalin-5-ol (CID 159243023) is 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;7-morpholin-4-ylquinoxalin-5-ol.
What is the SMILES notation for 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;7-morpholin-4-ylquinoxalin-5-ol?
The canonical SMILES for 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;7-morpholin-4-ylquinoxalin-5-ol is Brc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.COc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.Oc1cc(N2CCOCC2)cc2nccnc12.
What is the InChIKey of 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;7-morpholin-4-ylquinoxalin-5-ol?
The InChIKey is KUIHUGKIVRCFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3.C22H25BrN6O2.C12H13N3O2/c1-30-19-14-26-23(27-15-19)28-16-2-4-18(5-3-16)32-21-13-17(29-8-10-31-11-9-29)12-20-22(21)25-7-6-24-20;23-15-13-26-22(27-14-15)28-16-1-3-18(4-2-16)31-20-12-17(29-7-9-30-10-8-29)11-19-21(20)25-6-5-24-19;16-11-8-9(15-3-5-17-6-4-15)7-10-12(11)14-2-1-13-10/h6-7,12-16,18H,2-5,8-11H2,1H3,(H,26,27,28);5-6,11-14,16,18H,1-4,7-10H2,(H,26,27,28);1-2,7-8,16H,3-6H2.
What are the key properties of 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;7-morpholin-4-ylquinoxalin-5-ol?
5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;7-morpholin-4-ylquinoxalin-5-ol has a molecular weight of 1153.16 g/mol, XLogP of 8.06, 12 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;7-morpholin-4-ylquinoxalin-5-ol is sourced from PubChem (CID 159243023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).