5,6-dimethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-(trifluoromethyl)pyridin-2-amine

C98H117F3N20O12 — CID 160876409

IUPAC5,6-dimethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCCOc1cccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.COc1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1OC.FC(F)(F)c1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1.OCc1cccnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1
InChIInChI=1S/C25H31N5O4.C25H31N5O3.C24H26F3N5O2.C24H29N5O3/c1-31-21-7-8-23(29-25(21)32-2)28-17-3-5-19(6-4-17)34-22-16-18(30-11-13-33-14-12-30)15-20-24(22)27-10-9-26-20;1-2-32-24-5-3-4-23(29-24)28-18-6-8-20(9-7-18)33-22-17-19(30-12-14-31-15-13-30)16-21-25(22)27-11-10-26-21;25-24(26,27)16-5-6-29-22(13-16)31-17-1-3-19(4-2-17)34-21-15-18(32-9-11-33-12-10-32)14-20-23(21)30-8-7-28-20;30-16-17-2-1-7-27-24(17)28-18-3-5-20(6-4-18)32-22-15-19(29-10-12-31-13-11-29)14-21-23(22)26-9-8-25-21/h7-10,15-17,19H,3-6,11-14H2,1-2H3,(H,28,29);3-5,10-11,16-18,20H,2,6-9,12-15H2,1H3,(H,28,29);5-8,13-15,17,19H,1-4,9-12H2,(H,29,31);1-2,7-9,14-15,18,20,30H,3-6,10-13,16H2,(H,27,28)
InChIKeySMLKNDFNFYKCNN-UHFFFAOYSA-N
MW1824.14 g/mol
LogP15.58
Rot. Bonds25

About 5,6-dimethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-(trifluoromethyl)pyridin-2-amine

5,6-dimethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 160876409) has the molecular formula C98H117F3N20O12 and a molecular weight of 1824.14 g/mol. Its IUPAC name is 5,6-dimethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5,6-dimethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID160876409
Molecular FormulaC98H117F3N20O12
Molecular Weight1824.14 g/mol
Exact Mass1822.91
IUPAC Name5,6-dimethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCCOc1cccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.COc1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1OC.FC(F)(F)c1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1.OCc1cccnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1
InChIInChI=1S/C25H31N5O4.C25H31N5O3.C24H26F3N5O2.C24H29N5O3/c1-31-21-7-8-23(29-25(21)32-2)28-17-3-5-19(6-4-17)34-22-16-18(30-11-13-33-14-12-30)15-20-24(22)27-10-9-26-20;1-2-32-24-5-3-4-23(29-24)28-18-6-8-20(9-7-18)33-22-17-19(30-12-14-31-15-13-30)16-21-25(22)27-11-10-26-21;25-24(26,27)16-5-6-29-22(13-16)31-17-1-3-19(4-2-17)34-21-15-18(32-9-11-33-12-10-32)14-20-23(21)30-8-7-28-20;30-16-17-2-1-7-27-24(17)28-18-3-5-20(6-4-18)32-22-15-19(29-10-12-31-13-11-29)14-21-23(22)26-9-8-25-21/h7-10,15-17,19H,3-6,11-14H2,1-2H3,(H,28,29);3-5,10-11,16-18,20H,2,6-9,12-15H2,1H3,(H,28,29);5-8,13-15,17,19H,1-4,9-12H2,(H,29,31);1-2,7-9,14-15,18,20,30H,3-6,10-13,16H2,(H,27,28)
InChIKeySMLKNDFNFYKCNN-UHFFFAOYSA-N
XLogP15.58
TPSA337.52 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds25
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001824.14
LogP ≤ 515.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Analyze 5,6-dimethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-(trifluoromethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5,6-dimethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-(trifluoromethyl)pyridin-2-amine (CID 160876409) is 5,6-dimethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5,6-dimethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5,6-dimethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-(trifluoromethyl)pyridin-2-amine is CCOc1cccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.COc1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1OC.FC(F)(F)c1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1.OCc1cccnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.
What is the InChIKey of 5,6-dimethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SMLKNDFNFYKCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4.C25H31N5O3.C24H26F3N5O2.C24H29N5O3/c1-31-21-7-8-23(29-25(21)32-2)28-17-3-5-19(6-4-17)34-22-16-18(30-11-13-33-14-12-30)15-20-24(22)27-10-9-26-20;1-2-32-24-5-3-4-23(29-24)28-18-6-8-20(9-7-18)33-22-17-19(30-12-14-31-15-13-30)16-21-25(22)27-11-10-26-21;25-24(26,27)16-5-6-29-22(13-16)31-17-1-3-19(4-2-17)34-21-15-18(32-9-11-33-12-10-32)14-20-23(21)30-8-7-28-20;30-16-17-2-1-7-27-24(17)28-18-3-5-20(6-4-18)32-22-15-19(29-10-12-31-13-11-29)14-21-23(22)26-9-8-25-21/h7-10,15-17,19H,3-6,11-14H2,1-2H3,(H,28,29);3-5,10-11,16-18,20H,2,6-9,12-15H2,1H3,(H,28,29);5-8,13-15,17,19H,1-4,9-12H2,(H,29,31);1-2,7-9,14-15,18,20,30H,3-6,10-13,16H2,(H,27,28).
What are the key properties of 5,6-dimethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-(trifluoromethyl)pyridin-2-amine?
5,6-dimethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1824.14 g/mol, XLogP of 15.58, 25 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 160876409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).