5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

C101H119BrN22O11 — CID 159518743

IUPAC5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESBrc1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.CCc1ccc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.Cc1cccc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.O=C(c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1)N1CCCC1
InChIInChI=1S/C27H33N7O3.C26H31N5O3.C25H29N5O3.C23H26BrN5O2/c35-26(34-9-1-2-10-34)19-17-30-27(31-18-19)32-20-3-5-22(6-4-20)37-24-16-21(33-11-13-36-14-12-33)15-23-25(24)29-8-7-28-23;1-2-18-3-8-22(29-17-18)26(32)30-19-4-6-21(7-5-19)34-24-16-20(31-11-13-33-14-12-31)15-23-25(24)28-10-9-27-23;1-17-3-2-4-21(28-17)25(31)29-18-5-7-20(8-6-18)33-23-16-19(30-11-13-32-14-12-30)15-22-24(23)27-10-9-26-22;24-16-1-6-22(27-15-16)28-17-2-4-19(5-3-17)31-21-14-18(29-9-11-30-12-10-29)13-20-23(21)26-8-7-25-20/h7-8,15-18,20,22H,1-6,9-14H2,(H,30,31,32);3,8-10,15-17,19,21H,2,4-7,11-14H2,1H3,(H,30,32);2-4,9-10,15-16,18,20H,5-8,11-14H2,1H3,(H,29,31);1,6-8,13-15,17,19H,2-5,9-12H2,(H,27,28)
InChIKeyMBNPMCUVYCZFHA-UHFFFAOYSA-N
MW1897.11 g/mol
LogP14.55
Rot. Bonds22

About 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 159518743) has the molecular formula C101H119BrN22O11 and a molecular weight of 1897.11 g/mol. Its IUPAC name is 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID159518743
Molecular FormulaC101H119BrN22O11
Molecular Weight1897.11 g/mol
Exact Mass1894.86
IUPAC Name5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESBrc1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.CCc1ccc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.Cc1cccc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.O=C(c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1)N1CCCC1
InChIInChI=1S/C27H33N7O3.C26H31N5O3.C25H29N5O3.C23H26BrN5O2/c35-26(34-9-1-2-10-34)19-17-30-27(31-18-19)32-20-3-5-22(6-4-20)37-24-16-21(33-11-13-36-14-12-33)15-23-25(24)29-8-7-28-23;1-2-18-3-8-22(29-17-18)26(32)30-19-4-6-21(7-5-19)34-24-16-20(31-11-13-33-14-12-31)15-23-25(24)28-10-9-27-23;1-17-3-2-4-21(28-17)25(31)29-18-5-7-20(8-6-18)33-23-16-19(30-11-13-32-14-12-30)15-22-24(23)27-10-9-26-22;24-16-1-6-22(27-15-16)28-17-2-4-19(5-3-17)31-21-14-18(29-9-11-30-12-10-29)13-20-23(21)26-8-7-25-20/h7-8,15-18,20,22H,1-6,9-14H2,(H,30,31,32);3,8-10,15-17,19,21H,2,4-7,11-14H2,1H3,(H,30,32);2-4,9-10,15-16,18,20H,5-8,11-14H2,1H3,(H,29,31);1,6-8,13-15,17,19H,2-5,9-12H2,(H,27,28)
InChIKeyMBNPMCUVYCZFHA-UHFFFAOYSA-N
XLogP14.55
TPSA356.94 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms135
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001897.11
LogP ≤ 514.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Analyze 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone 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]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (CID 159518743) is 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is Brc1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.CCc1ccc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.Cc1cccc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.O=C(c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1)N1CCCC1.
What is the InChIKey of 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is MBNPMCUVYCZFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O3.C26H31N5O3.C25H29N5O3.C23H26BrN5O2/c35-26(34-9-1-2-10-34)19-17-30-27(31-18-19)32-20-3-5-22(6-4-20)37-24-16-21(33-11-13-36-14-12-33)15-23-25(24)29-8-7-28-23;1-2-18-3-8-22(29-17-18)26(32)30-19-4-6-21(7-5-19)34-24-16-20(31-11-13-33-14-12-31)15-23-25(24)28-10-9-27-23;1-17-3-2-4-21(28-17)25(31)29-18-5-7-20(8-6-18)33-23-16-19(30-11-13-32-14-12-30)15-22-24(23)27-10-9-26-22;24-16-1-6-22(27-15-16)28-17-2-4-19(5-3-17)31-21-14-18(29-9-11-30-12-10-29)13-20-23(21)26-8-7-25-20/h7-8,15-18,20,22H,1-6,9-14H2,(H,30,31,32);3,8-10,15-17,19,21H,2,4-7,11-14H2,1H3,(H,30,32);2-4,9-10,15-16,18,20H,5-8,11-14H2,1H3,(H,29,31);1,6-8,13-15,17,19H,2-5,9-12H2,(H,27,28).
What are the key properties of 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 1897.11 g/mol, XLogP of 14.55, 22 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 159518743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).