5-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;4-(7-morpholin-4-ylquinoxalin-5-yl)oxy-N-phenylcyclohexane-1-carboxamide

C75H91N17O9 — CID 158563863

IUPAC5-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;4-(7-morpholin-4-ylquinoxalin-5-yl)oxy-N-phenylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.COCc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.O=C(Nc1ccccc1)C1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1
InChIInChI=1S/C26H33N7O3.C25H28N4O3.C24H30N6O3/c1-17(2)31-25(34)18-15-29-26(30-16-18)32-19-3-5-21(6-4-19)36-23-14-20(33-9-11-35-12-10-33)13-22-24(23)28-8-7-27-22;30-25(28-19-4-2-1-3-5-19)18-6-8-21(9-7-18)32-23-17-20(29-12-14-31-15-13-29)16-22-24(23)27-11-10-26-22;1-31-16-17-14-27-24(28-15-17)29-18-2-4-20(5-3-18)33-22-13-19(30-8-10-32-11-9-30)12-21-23(22)26-7-6-25-21/h7-8,13-17,19,21H,3-6,9-12H2,1-2H3,(H,31,34)(H,29,30,32);1-5,10-11,16-18,21H,6-9,12-15H2,(H,28,30);6-7,12-15,18,20H,2-5,8-11,16H2,1H3,(H,27,28,29)
InChIKeyHRFNVDXTWOMQHE-UHFFFAOYSA-N
MW1374.66 g/mol
LogP10.44
Rot. Bonds19

About 5-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;4-(7-morpholin-4-ylquinoxalin-5-yl)oxy-N-phenylcyclohexane-1-carboxamide

5-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;4-(7-morpholin-4-ylquinoxalin-5-yl)oxy-N-phenylcyclohexane-1-carboxamide (PubChem CID 158563863) has the molecular formula C75H91N17O9 and a molecular weight of 1374.66 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;4-(7-morpholin-4-ylquinoxalin-5-yl)oxy-N-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;4-(7-morpholin-4-ylquinoxalin-5-yl)oxy-N-phenylcyclohexane-1-carboxamide
PubChem CID158563863
Molecular FormulaC75H91N17O9
Molecular Weight1374.66 g/mol
Exact Mass1373.72
IUPAC Name5-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;4-(7-morpholin-4-ylquinoxalin-5-yl)oxy-N-phenylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.COCc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.O=C(Nc1ccccc1)C1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1
InChIInChI=1S/C26H33N7O3.C25H28N4O3.C24H30N6O3/c1-17(2)31-25(34)18-15-29-26(30-16-18)32-19-3-5-21(6-4-19)36-23-14-20(33-9-11-35-12-10-33)13-22-24(23)28-8-7-27-22;30-25(28-19-4-2-1-3-5-19)18-6-8-21(9-7-18)32-23-17-20(29-12-14-31-15-13-29)16-22-24(23)27-11-10-26-22;1-31-16-17-14-27-24(28-15-17)29-18-2-4-20(5-3-18)33-22-13-19(30-8-10-32-11-9-30)12-21-23(22)26-7-6-25-21/h7-8,13-17,19,21H,3-6,9-12H2,1-2H3,(H,31,34)(H,29,30,32);1-5,10-11,16-18,21H,6-9,12-15H2,(H,28,30);6-7,12-15,18,20H,2-5,8-11,16H2,1H3,(H,27,28,29)
InChIKeyHRFNVDXTWOMQHE-UHFFFAOYSA-N
XLogP10.44
TPSA285.49 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001374.66
LogP ≤ 510.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 5-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;4-(7-morpholin-4-ylquinoxalin-5-yl)oxy-N-phenylcyclohexane-1-carboxamide with MolForge

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Related Compounds

4-(7-morpholin-4-ylquinoxalin-5-yl)oxy-N-phenylcyclohexane-1-carboxamide
CID 90443929
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide
CID 138546172
5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 90454078
4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335607
N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,5-diamine
CID 160714072
methyl 4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexane-1-carboxylate
CID 86282798
N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide
CID 158040088
6-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-ylpyrimidin-2-amine
CID 161442099
5-[[(2-methyloxolan-3-yl)amino]methyl]-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 170121746
5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 90443960
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile
CID 90443904
N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 86281319

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;4-(7-morpholin-4-ylquinoxalin-5-yl)oxy-N-phenylcyclohexane-1-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;4-(7-morpholin-4-ylquinoxalin-5-yl)oxy-N-phenylcyclohexane-1-carboxamide (CID 158563863) is 5-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;4-(7-morpholin-4-ylquinoxalin-5-yl)oxy-N-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;4-(7-morpholin-4-ylquinoxalin-5-yl)oxy-N-phenylcyclohexane-1-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;4-(7-morpholin-4-ylquinoxalin-5-yl)oxy-N-phenylcyclohexane-1-carboxamide is CC(C)NC(=O)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.COCc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.O=C(Nc1ccccc1)C1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.
What is the InChIKey of 5-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;4-(7-morpholin-4-ylquinoxalin-5-yl)oxy-N-phenylcyclohexane-1-carboxamide?
The InChIKey is HRFNVDXTWOMQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O3.C25H28N4O3.C24H30N6O3/c1-17(2)31-25(34)18-15-29-26(30-16-18)32-19-3-5-21(6-4-19)36-23-14-20(33-9-11-35-12-10-33)13-22-24(23)28-8-7-27-22;30-25(28-19-4-2-1-3-5-19)18-6-8-21(9-7-18)32-23-17-20(29-12-14-31-15-13-29)16-22-24(23)27-11-10-26-22;1-31-16-17-14-27-24(28-15-17)29-18-2-4-20(5-3-18)33-22-13-19(30-8-10-32-11-9-30)12-21-23(22)26-7-6-25-21/h7-8,13-17,19,21H,3-6,9-12H2,1-2H3,(H,31,34)(H,29,30,32);1-5,10-11,16-18,21H,6-9,12-15H2,(H,28,30);6-7,12-15,18,20H,2-5,8-11,16H2,1H3,(H,27,28,29).
What are the key properties of 5-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;4-(7-morpholin-4-ylquinoxalin-5-yl)oxy-N-phenylcyclohexane-1-carboxamide?
5-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;4-(7-morpholin-4-ylquinoxalin-5-yl)oxy-N-phenylcyclohexane-1-carboxamide has a molecular weight of 1374.66 g/mol, XLogP of 10.44, 19 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;4-(7-morpholin-4-ylquinoxalin-5-yl)oxy-N-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 158563863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).