4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine

C70H80F3N15O8S2 — CID 158925300

IUPAC4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1cnc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)s1.Cc1csc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.FC(F)(F)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C24H26F3N5O2.2C23H27N5O3S/c25-24(26,27)16-1-6-22(30-15-16)31-17-2-4-19(5-3-17)34-21-14-18(32-9-11-33-12-10-32)13-20-23(21)29-8-7-28-20;1-15-14-32-23(26-15)22(29)27-16-2-4-18(5-3-16)31-20-13-17(28-8-10-30-11-9-28)12-19-21(20)25-7-6-24-19;1-15-14-26-23(32-15)22(29)27-16-2-4-18(5-3-16)31-20-13-17(28-8-10-30-11-9-28)12-19-21(20)25-7-6-24-19/h1,6-8,13-15,17,19H,2-5,9-12H2,(H,30,31);2*6-7,12-14,16,18H,2-5,8-11H2,1H3,(H,27,29)
InChIKeyJIJCYQCIXOCQNE-UHFFFAOYSA-N
MW1380.63 g/mol
LogP11.38
Rot. Bonds15

About 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine

4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 158925300) has the molecular formula C70H80F3N15O8S2 and a molecular weight of 1380.63 g/mol. Its IUPAC name is 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID158925300
Molecular FormulaC70H80F3N15O8S2
Molecular Weight1380.63 g/mol
Exact Mass1379.57
IUPAC Name4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1cnc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)s1.Cc1csc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.FC(F)(F)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C24H26F3N5O2.2C23H27N5O3S/c25-24(26,27)16-1-6-22(30-15-16)31-17-2-4-19(5-3-17)34-21-14-18(32-9-11-33-12-10-32)13-20-23(21)29-8-7-28-20;1-15-14-32-23(26-15)22(29)27-16-2-4-18(5-3-16)31-20-13-17(28-8-10-30-11-9-28)12-19-21(20)25-7-6-24-19;1-15-14-26-23(32-15)22(29)27-16-2-4-18(5-3-16)31-20-13-17(28-8-10-30-11-9-28)12-19-21(20)25-7-6-24-19/h1,6-8,13-15,17,19H,2-5,9-12H2,(H,30,31);2*6-7,12-14,16,18H,2-5,8-11H2,1H3,(H,27,29)
InChIKeyJIJCYQCIXOCQNE-UHFFFAOYSA-N
XLogP11.38
TPSA251.34 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms98
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001380.63
LogP ≤ 511.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine (CID 158925300) is 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine is Cc1cnc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)s1.Cc1csc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.FC(F)(F)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.
What is the InChIKey of 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JIJCYQCIXOCQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O2.2C23H27N5O3S/c25-24(26,27)16-1-6-22(30-15-16)31-17-2-4-19(5-3-17)34-21-14-18(32-9-11-33-12-10-32)13-20-23(21)29-8-7-28-20;1-15-14-32-23(26-15)22(29)27-16-2-4-18(5-3-16)31-20-13-17(28-8-10-30-11-9-28)12-19-21(20)25-7-6-24-19;1-15-14-26-23(32-15)22(29)27-16-2-4-18(5-3-16)31-20-13-17(28-8-10-30-11-9-28)12-19-21(20)25-7-6-24-19/h1,6-8,13-15,17,19H,2-5,9-12H2,(H,30,31);2*6-7,12-14,16,18H,2-5,8-11H2,1H3,(H,27,29).
What are the key properties of 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine?
4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1380.63 g/mol, XLogP of 11.38, 15 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 158925300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).