4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-[8-[4-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-2-amine

C101H123F3N22O9 — CID 161230927

IUPAC4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-[8-[4-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCN1CCN(c2cnc(CC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)nc2)CC1.COCc1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1.Cc1cccnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.FC(F)(F)c1cccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1
InChIInChI=1S/C28H37N7O2.C25H31N5O3.C24H26F3N5O2.C24H29N5O2/c1-33-8-10-34(11-9-33)23-19-31-27(32-20-23)16-21-2-4-24(5-3-21)37-26-18-22(35-12-14-36-15-13-35)17-25-28(26)30-7-6-29-25;1-31-17-18-6-7-27-24(14-18)29-19-2-4-21(5-3-19)33-23-16-20(30-10-12-32-13-11-30)15-22-25(23)28-9-8-26-22;25-24(26,27)21-2-1-3-22(31-21)30-16-4-6-18(7-5-16)34-20-15-17(32-10-12-33-13-11-32)14-19-23(20)29-9-8-28-19;1-17-3-2-8-27-24(17)28-18-4-6-20(7-5-18)31-22-16-19(29-11-13-30-14-12-29)15-21-23(22)26-10-9-25-21/h6-7,17-21,24H,2-5,8-16H2,1H3;6-9,14-16,19,21H,2-5,10-13,17H2,1H3,(H,27,29);1-3,8-9,14-16,18H,4-7,10-13H2,(H,30,31);2-3,8-10,15-16,18,20H,4-7,11-14H2,1H3,(H,27,28)
InChIKeyUYSUWVUBAJDZTQ-UHFFFAOYSA-N
MW1846.23 g/mol
LogP15.65
Rot. Bonds23

About 4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-[8-[4-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-2-amine

4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-[8-[4-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 161230927) has the molecular formula C101H123F3N22O9 and a molecular weight of 1846.23 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-[8-[4-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-[8-[4-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID161230927
Molecular FormulaC101H123F3N22O9
Molecular Weight1846.23 g/mol
Exact Mass1844.98
IUPAC Name4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-[8-[4-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCN1CCN(c2cnc(CC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)nc2)CC1.COCc1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1.Cc1cccnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.FC(F)(F)c1cccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1
InChIInChI=1S/C28H37N7O2.C25H31N5O3.C24H26F3N5O2.C24H29N5O2/c1-33-8-10-34(11-9-33)23-19-31-27(32-20-23)16-21-2-4-24(5-3-21)37-26-18-22(35-12-14-36-15-13-35)17-25-28(26)30-7-6-29-25;1-31-17-18-6-7-27-24(14-18)29-19-2-4-21(5-3-19)33-23-16-20(30-10-12-32-13-11-30)15-22-25(23)28-9-8-26-22;25-24(26,27)21-2-1-3-22(31-21)30-16-4-6-18(7-5-16)34-20-15-17(32-10-12-33-13-11-32)14-19-23(20)29-9-8-28-19;1-17-3-2-8-27-24(17)28-18-4-6-20(7-5-18)31-22-16-19(29-11-13-30-14-12-29)15-21-23(22)26-10-9-25-21/h6-7,17-21,24H,2-5,8-16H2,1H3;6-9,14-16,19,21H,2-5,10-13,17H2,1H3,(H,27,29);1-3,8-9,14-16,18H,4-7,10-13H2,(H,30,31);2-3,8-10,15-16,18,20H,4-7,11-14H2,1H3,(H,27,28)
InChIKeyUYSUWVUBAJDZTQ-UHFFFAOYSA-N
XLogP15.65
TPSA306.17 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds23
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001846.23
LogP ≤ 515.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Analyze 4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-[8-[4-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

N-[4-[7-[(2R)-2-methylmorpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]pyrimidin-2-amine
CID 90443905
4-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)-N-methylpyridin-2-amine
CID 146450441
4-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)pyridin-2-amine
CID 146450477
4-[(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)pyridin-2-amine
CID 146469215
4-[(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)-N-methylpyridin-2-amine
CID 146469218
5-bromo-4-N-(1-dimethylphosphoryl-6,7,8,9-tetrahydrophenazin-2-yl)-2-N-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine
CID 168286135
8-N-(2,2-dimethylpropyl)-2-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 90000887
N-(1-benzylpiperidin-4-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 122469657
2-N-[4-[4-[3-(dimethylamino)azetidin-1-yl]piperidin-1-yl]-5-ethyl-2-methoxyphenyl]-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 155426971
N-[2-(4-benzylpiperazin-1-yl)ethyl]-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 137654426
(7R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(5-fluoropyrimidin-2-yl)-14-methyl-9-oxa-2,5,13,15-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-16-amine
CID 171354134
8-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoxalin-2-amine
CID 11212977

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-[8-[4-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-[8-[4-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-2-amine (CID 161230927) is 4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-[8-[4-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-[8-[4-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-[8-[4-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-2-amine is CN1CCN(c2cnc(CC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)nc2)CC1.COCc1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1.Cc1cccnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.FC(F)(F)c1cccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.
What is the InChIKey of 4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-[8-[4-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UYSUWVUBAJDZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O2.C25H31N5O3.C24H26F3N5O2.C24H29N5O2/c1-33-8-10-34(11-9-33)23-19-31-27(32-20-23)16-21-2-4-24(5-3-21)37-26-18-22(35-12-14-36-15-13-35)17-25-28(26)30-7-6-29-25;1-31-17-18-6-7-27-24(14-18)29-19-2-4-21(5-3-19)33-23-16-20(30-10-12-32-13-11-30)15-22-25(23)28-9-8-26-22;25-24(26,27)21-2-1-3-22(31-21)30-16-4-6-18(7-5-16)34-20-15-17(32-10-12-33-13-11-32)14-19-23(20)29-9-8-28-19;1-17-3-2-8-27-24(17)28-18-4-6-20(7-5-18)31-22-16-19(29-11-13-30-14-12-29)15-21-23(22)26-10-9-25-21/h6-7,17-21,24H,2-5,8-16H2,1H3;6-9,14-16,19,21H,2-5,10-13,17H2,1H3,(H,27,29);1-3,8-9,14-16,18H,4-7,10-13H2,(H,30,31);2-3,8-10,15-16,18,20H,4-7,11-14H2,1H3,(H,27,28).
What are the key properties of 4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-[8-[4-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-2-amine?
4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-[8-[4-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1846.23 g/mol, XLogP of 15.65, 23 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-[8-[4-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 161230927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).