tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoate;1-(cyclohexylmethyl)-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoic acid;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-3-amine

C128H152F5N23O17 — CID 159151605

IUPACtert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoate;1-(cyclohexylmethyl)-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoic acid;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-3-amine
SMILESCC(C)(C)OC(=O)c1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ccc1F.FC(F)(F)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1.O=C(NCC1CCCCC1)NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.O=C(O)c1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ccc1F.O=C(O)c1cccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1
InChIInChI=1S/C29H35FN4O4.C26H37N5O3.C25H27FN4O4.C24H26F3N5O2.C24H27N5O4/c1-29(2,3)38-28(35)23-16-20(6-9-24(23)30)33-19-4-7-22(8-5-19)37-26-18-21(34-12-14-36-15-13-34)17-25-27(26)32-11-10-31-25;32-26(29-18-19-4-2-1-3-5-19)30-20-6-8-22(9-7-20)34-24-17-21(31-12-14-33-15-13-31)16-23-25(24)28-11-10-27-23;26-21-6-3-17(13-20(21)25(31)32)29-16-1-4-19(5-2-16)34-23-15-18(30-9-11-33-12-10-30)14-22-24(23)28-8-7-27-22;25-24(26,27)22-6-3-17(15-30-22)31-16-1-4-19(5-2-16)34-21-14-18(32-9-11-33-12-10-32)13-20-23(21)29-8-7-28-20;30-24(31)19-2-1-3-22(28-19)27-16-4-6-18(7-5-16)33-21-15-17(29-10-12-32-13-11-29)14-20-23(21)26-9-8-25-20/h6,9-11,16-19,22,33H,4-5,7-8,12-15H2,1-3H3;10-11,16-17,19-20,22H,1-9,12-15,18H2,(H2,29,30,32);3,6-8,13-16,19,29H,1-2,4-5,9-12H2,(H,31,32);3,6-8,13-16,19,31H,1-2,4-5,9-12H2;1-3,8-9,14-16,18H,4-7,10-13H2,(H,27,28)(H,30,31)
InChIKeyKJJCWTMPYOLJMM-UHFFFAOYSA-N
MW2379.76 g/mol
LogP21.55
Rot. Bonds29

About tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoate;1-(cyclohexylmethyl)-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoic acid;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-3-amine

tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoate;1-(cyclohexylmethyl)-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoic acid;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 159151605) has the molecular formula C128H152F5N23O17 and a molecular weight of 2379.76 g/mol. Its IUPAC name is tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoate;1-(cyclohexylmethyl)-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoic acid;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Nametert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoate;1-(cyclohexylmethyl)-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoic acid;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-3-amine
PubChem CID159151605
Molecular FormulaC128H152F5N23O17
Molecular Weight2379.76 g/mol
Exact Mass2378.17
IUPAC Nametert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoate;1-(cyclohexylmethyl)-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoic acid;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-3-amine
SMILESCC(C)(C)OC(=O)c1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ccc1F.FC(F)(F)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1.O=C(NCC1CCCCC1)NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.O=C(O)c1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ccc1F.O=C(O)c1cccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1
InChIInChI=1S/C29H35FN4O4.C26H37N5O3.C25H27FN4O4.C24H26F3N5O2.C24H27N5O4/c1-29(2,3)38-28(35)23-16-20(6-9-24(23)30)33-19-4-7-22(8-5-19)37-26-18-21(34-12-14-36-15-13-34)17-25-27(26)32-11-10-31-25;32-26(29-18-19-4-2-1-3-5-19)30-20-6-8-22(9-7-20)34-24-17-21(31-12-14-33-15-13-31)16-23-25(24)28-11-10-27-23;26-21-6-3-17(13-20(21)25(31)32)29-16-1-4-19(5-2-16)34-23-15-18(30-9-11-33-12-10-30)14-22-24(23)28-8-7-27-22;25-24(26,27)22-6-3-17(15-30-22)31-16-1-4-19(5-2-16)34-21-14-18(32-9-11-33-12-10-32)13-20-23(21)29-8-7-28-20;30-24(31)19-2-1-3-22(28-19)27-16-4-6-18(7-5-16)33-21-15-17(29-10-12-32-13-11-29)14-20-23(21)26-9-8-25-20/h6,9-11,16-19,22,33H,4-5,7-8,12-15H2,1-3H3;10-11,16-17,19-20,22H,1-9,12-15,18H2,(H2,29,30,32);3,6-8,13-16,19,29H,1-2,4-5,9-12H2,(H,31,32);3,6-8,13-16,19,31H,1-2,4-5,9-12H2;1-3,8-9,14-16,18H,4-7,10-13H2,(H,27,28)(H,30,31)
InChIKeyKJJCWTMPYOLJMM-UHFFFAOYSA-N
XLogP21.55
TPSA453.33 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds29
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002379.76
LogP ≤ 521.55
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoate;1-(cyclohexylmethyl)-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoic acid;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoate;1-(cyclohexylmethyl)-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoic acid;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoate;1-(cyclohexylmethyl)-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoic acid;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-3-amine (CID 159151605) is tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoate;1-(cyclohexylmethyl)-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoic acid;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoate;1-(cyclohexylmethyl)-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoic acid;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoate;1-(cyclohexylmethyl)-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoic acid;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-3-amine is CC(C)(C)OC(=O)c1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ccc1F.FC(F)(F)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1.O=C(NCC1CCCCC1)NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.O=C(O)c1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ccc1F.O=C(O)c1cccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.
What is the InChIKey of tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoate;1-(cyclohexylmethyl)-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoic acid;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is KJJCWTMPYOLJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN4O4.C26H37N5O3.C25H27FN4O4.C24H26F3N5O2.C24H27N5O4/c1-29(2,3)38-28(35)23-16-20(6-9-24(23)30)33-19-4-7-22(8-5-19)37-26-18-21(34-12-14-36-15-13-34)17-25-27(26)32-11-10-31-25;32-26(29-18-19-4-2-1-3-5-19)30-20-6-8-22(9-7-20)34-24-17-21(31-12-14-33-15-13-31)16-23-25(24)28-11-10-27-23;26-21-6-3-17(13-20(21)25(31)32)29-16-1-4-19(5-2-16)34-23-15-18(30-9-11-33-12-10-30)14-22-24(23)28-8-7-27-22;25-24(26,27)22-6-3-17(15-30-22)31-16-1-4-19(5-2-16)34-21-14-18(32-9-11-33-12-10-32)13-20-23(21)29-8-7-28-20;30-24(31)19-2-1-3-22(28-19)27-16-4-6-18(7-5-16)33-21-15-17(29-10-12-32-13-11-29)14-20-23(21)26-9-8-25-20/h6,9-11,16-19,22,33H,4-5,7-8,12-15H2,1-3H3;10-11,16-17,19-20,22H,1-9,12-15,18H2,(H2,29,30,32);3,6-8,13-16,19,29H,1-2,4-5,9-12H2,(H,31,32);3,6-8,13-16,19,31H,1-2,4-5,9-12H2;1-3,8-9,14-16,18H,4-7,10-13H2,(H,27,28)(H,30,31).
What are the key properties of tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoate;1-(cyclohexylmethyl)-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoic acid;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-3-amine?
tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoate;1-(cyclohexylmethyl)-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoic acid;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 2379.76 g/mol, XLogP of 21.55, 29 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoate;1-(cyclohexylmethyl)-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoic acid;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 159151605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).