6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide;6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide;2-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-N,5-N-diethylpyrimidine-2,5-diamine;8-[4-[[5-(azetidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane

C104H146N26O11 — CID 159088201

IUPAC6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide;6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide;2-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-N,5-N-diethylpyrimidine-2,5-diamine;8-[4-[[5-(azetidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane
SMILESCCN(CC)c1cnc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc1.CCOCC.CCOCC.CCOCC.CCOCC.CNC(=O)c1ccc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc1.Nc1cc(OC2CCC(Nc3ccc(C(=O)N[C@H]4CCOC4)cn3)CC2)c2nccnc2c1.Nc1cc(OC2CCC(Nc3ncc(N4CCC4)cn3)CC2)c2nccnc2c1
InChIInChI=1S/C24H28N6O3.C22H29N7O.C21H25N7O.C21H24N6O2.4C4H10O/c25-16-11-20-23(27-9-8-26-20)21(12-16)33-19-4-2-17(3-5-19)29-22-6-1-15(13-28-22)24(31)30-18-7-10-32-14-18;1-3-29(4-2)17-13-26-22(27-14-17)28-16-5-7-18(8-6-16)30-20-12-15(23)11-19-21(20)25-10-9-24-19;22-14-10-18-20(24-7-6-23-18)19(11-14)29-17-4-2-15(3-5-17)27-21-25-12-16(13-26-21)28-8-1-9-28;1-23-21(28)13-2-7-19(26-12-13)27-15-3-5-16(6-4-15)29-18-11-14(22)10-17-20(18)25-9-8-24-17;4*1-3-5-4-2/h1,6,8-9,11-13,17-19H,2-5,7,10,14,25H2,(H,28,29)(H,30,31);9-14,16,18H,3-8,23H2,1-2H3,(H,26,27,28);6-7,10-13,15,17H,1-5,8-9,22H2,(H,25,26,27);2,7-12,15-16H,3-6,22H2,1H3,(H,23,28)(H,26,27);4*3-4H2,1-2H3/t17?,18-,19?;;;;;;;/m0......./s1
InChIKeyKBSJLJIFLCVNMN-KWXUXLHYSA-N
MW1936.48 g/mol
LogP16.53
Rot. Bonds31

About 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide;6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide;2-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-N,5-N-diethylpyrimidine-2,5-diamine;8-[4-[[5-(azetidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane

6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide;6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide;2-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-N,5-N-diethylpyrimidine-2,5-diamine;8-[4-[[5-(azetidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane (PubChem CID 159088201) has the molecular formula C104H146N26O11 and a molecular weight of 1936.48 g/mol. Its IUPAC name is 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide;6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide;2-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-N,5-N-diethylpyrimidine-2,5-diamine;8-[4-[[5-(azetidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane.

Molecular Properties

Compound Name6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide;6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide;2-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-N,5-N-diethylpyrimidine-2,5-diamine;8-[4-[[5-(azetidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane
PubChem CID159088201
Molecular FormulaC104H146N26O11
Molecular Weight1936.48 g/mol
Exact Mass1935.17
IUPAC Name6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide;6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide;2-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-N,5-N-diethylpyrimidine-2,5-diamine;8-[4-[[5-(azetidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane
SMILESCCN(CC)c1cnc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc1.CCOCC.CCOCC.CCOCC.CCOCC.CNC(=O)c1ccc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc1.Nc1cc(OC2CCC(Nc3ccc(C(=O)N[C@H]4CCOC4)cn3)CC2)c2nccnc2c1.Nc1cc(OC2CCC(Nc3ncc(N4CCC4)cn3)CC2)c2nccnc2c1
InChIInChI=1S/C24H28N6O3.C22H29N7O.C21H25N7O.C21H24N6O2.4C4H10O/c25-16-11-20-23(27-9-8-26-20)21(12-16)33-19-4-2-17(3-5-19)29-22-6-1-15(13-28-22)24(31)30-18-7-10-32-14-18;1-3-29(4-2)17-13-26-22(27-14-17)28-16-5-7-18(8-6-16)30-20-12-15(23)11-19-21(20)25-10-9-24-19;22-14-10-18-20(24-7-6-23-18)19(11-14)29-17-4-2-15(3-5-17)27-21-25-12-16(13-26-21)28-8-1-9-28;1-23-21(28)13-2-7-19(26-12-13)27-15-3-5-16(6-4-15)29-18-11-14(22)10-17-20(18)25-9-8-24-17;4*1-3-5-4-2/h1,6,8-9,11-13,17-19H,2-5,7,10,14,25H2,(H,28,29)(H,30,31);9-14,16,18H,3-8,23H2,1-2H3,(H,26,27,28);6-7,10-13,15,17H,1-5,8-9,22H2,(H,25,26,27);2,7-12,15-16H,3-6,22H2,1H3,(H,23,28)(H,26,27);4*3-4H2,1-2H3/t17?,18-,19?;;;;;;;/m0......./s1
InChIKeyKBSJLJIFLCVNMN-KWXUXLHYSA-N
XLogP16.53
TPSA480.41 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds31
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001936.48
LogP ≤ 516.53
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide;6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide;2-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-N,5-N-diethylpyrimidine-2,5-diamine;8-[4-[[5-(azetidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane with MolForge

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Launch Full Analysis

Related Compounds

6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide
CID 156630311
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
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
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide
CID 138546172
N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;methyl 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxylate;N-(2-methyloxolan-3-yl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide
CID 158076726
N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]pyridine-3-carboxamide
CID 156673154
N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide
CID 121335836
5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 159518743
5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 90454078
N,N-dimethyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]cyclobutanecarboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]oxolane-3-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2H-tetrazol-5-yl)pyridin-2-amine
CID 161365846
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-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 90443960

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide;6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide;2-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-N,5-N-diethylpyrimidine-2,5-diamine;8-[4-[[5-(azetidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane?
The IUPAC name of 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide;6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide;2-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-N,5-N-diethylpyrimidine-2,5-diamine;8-[4-[[5-(azetidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane (CID 159088201) is 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide;6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide;2-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-N,5-N-diethylpyrimidine-2,5-diamine;8-[4-[[5-(azetidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane.
What is the SMILES notation for 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide;6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide;2-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-N,5-N-diethylpyrimidine-2,5-diamine;8-[4-[[5-(azetidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane?
The canonical SMILES for 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide;6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide;2-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-N,5-N-diethylpyrimidine-2,5-diamine;8-[4-[[5-(azetidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane is CCN(CC)c1cnc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc1.CCOCC.CCOCC.CCOCC.CCOCC.CNC(=O)c1ccc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc1.Nc1cc(OC2CCC(Nc3ccc(C(=O)N[C@H]4CCOC4)cn3)CC2)c2nccnc2c1.Nc1cc(OC2CCC(Nc3ncc(N4CCC4)cn3)CC2)c2nccnc2c1.
What is the InChIKey of 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide;6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide;2-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-N,5-N-diethylpyrimidine-2,5-diamine;8-[4-[[5-(azetidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane?
The InChIKey is KBSJLJIFLCVNMN-KWXUXLHYSA-N. The full InChI is InChI=1S/C24H28N6O3.C22H29N7O.C21H25N7O.C21H24N6O2.4C4H10O/c25-16-11-20-23(27-9-8-26-20)21(12-16)33-19-4-2-17(3-5-19)29-22-6-1-15(13-28-22)24(31)30-18-7-10-32-14-18;1-3-29(4-2)17-13-26-22(27-14-17)28-16-5-7-18(8-6-16)30-20-12-15(23)11-19-21(20)25-10-9-24-19;22-14-10-18-20(24-7-6-23-18)19(11-14)29-17-4-2-15(3-5-17)27-21-25-12-16(13-26-21)28-8-1-9-28;1-23-21(28)13-2-7-19(26-12-13)27-15-3-5-16(6-4-15)29-18-11-14(22)10-17-20(18)25-9-8-24-17;4*1-3-5-4-2/h1,6,8-9,11-13,17-19H,2-5,7,10,14,25H2,(H,28,29)(H,30,31);9-14,16,18H,3-8,23H2,1-2H3,(H,26,27,28);6-7,10-13,15,17H,1-5,8-9,22H2,(H,25,26,27);2,7-12,15-16H,3-6,22H2,1H3,(H,23,28)(H,26,27);4*3-4H2,1-2H3/t17?,18-,19?;;;;;;;/m0......./s1.
What are the key properties of 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide;6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide;2-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-N,5-N-diethylpyrimidine-2,5-diamine;8-[4-[[5-(azetidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane?
6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide;6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide;2-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-N,5-N-diethylpyrimidine-2,5-diamine;8-[4-[[5-(azetidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane has a molecular weight of 1936.48 g/mol, XLogP of 16.53, 31 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide;6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide;2-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-N,5-N-diethylpyrimidine-2,5-diamine;8-[4-[[5-(azetidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane is sourced from PubChem (CID 159088201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).