6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide

C87H100Cl2N24O10S — CID 161003878

IUPAC6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide
SMILESClc1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncn1.Clc1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nn1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1nccs1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ncn[nH]1
InChIInChI=1S/2C22H25ClN6O2.C22H25N5O3S.C21H25N7O3/c23-20-13-21(27-14-26-20)28-15-1-3-17(4-2-15)31-19-12-16(29-7-9-30-10-8-29)11-18-22(19)25-6-5-24-18;23-20-5-6-21(28-27-20)26-15-1-3-17(4-2-15)31-19-14-16(29-9-11-30-12-10-29)13-18-22(19)25-8-7-24-18;28-21(22-25-7-12-31-22)26-15-1-3-17(4-2-15)30-19-14-16(27-8-10-29-11-9-27)13-18-20(19)24-6-5-23-18;29-21(20-24-13-25-27-20)26-14-1-3-16(4-2-14)31-18-12-15(28-7-9-30-10-8-28)11-17-19(18)23-6-5-22-17/h5-6,11-15,17H,1-4,7-10H2,(H,26,27,28);5-8,13-15,17H,1-4,9-12H2,(H,26,28);5-7,12-15,17H,1-4,8-11H2,(H,26,28);5-6,11-14,16H,1-4,7-10H2,(H,26,29)(H,24,25,27)
InChIKeyTWGDHAMEWOSDMR-UHFFFAOYSA-N
MW1744.89 g/mol
LogP12.17
Rot. Bonds20

About 6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide

6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 161003878) has the molecular formula C87H100Cl2N24O10S and a molecular weight of 1744.89 g/mol. Its IUPAC name is 6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID161003878
Molecular FormulaC87H100Cl2N24O10S
Molecular Weight1744.89 g/mol
Exact Mass1742.72
IUPAC Name6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide
SMILESClc1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncn1.Clc1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nn1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1nccs1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ncn[nH]1
InChIInChI=1S/2C22H25ClN6O2.C22H25N5O3S.C21H25N7O3/c23-20-13-21(27-14-26-20)28-15-1-3-17(4-2-15)31-19-12-16(29-7-9-30-10-8-29)11-18-22(19)25-6-5-24-18;23-20-5-6-21(28-27-20)26-15-1-3-17(4-2-15)31-19-14-16(29-9-11-30-12-10-29)13-18-22(19)25-8-7-24-18;28-21(22-25-7-12-31-22)26-15-1-3-17(4-2-15)30-19-14-16(27-8-10-29-11-9-27)13-18-20(19)24-6-5-23-18;29-21(20-24-13-25-27-20)26-14-1-3-16(4-2-14)31-18-12-15(28-7-9-30-10-8-28)11-17-19(18)23-6-5-22-17/h5-6,11-15,17H,1-4,7-10H2,(H,26,27,28);5-8,13-15,17H,1-4,9-12H2,(H,26,28);5-7,12-15,17H,1-4,8-11H2,(H,26,28);5-6,11-14,16H,1-4,7-10H2,(H,26,29)(H,24,25,27)
InChIKeyTWGDHAMEWOSDMR-UHFFFAOYSA-N
XLogP12.17
TPSA378.20 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001744.89
LogP ≤ 512.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Analyze 6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide (CID 161003878) is 6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide is Clc1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncn1.Clc1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nn1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1nccs1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ncn[nH]1.
What is the InChIKey of 6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is TWGDHAMEWOSDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H25ClN6O2.C22H25N5O3S.C21H25N7O3/c23-20-13-21(27-14-26-20)28-15-1-3-17(4-2-15)31-19-12-16(29-7-9-30-10-8-29)11-18-22(19)25-6-5-24-18;23-20-5-6-21(28-27-20)26-15-1-3-17(4-2-15)31-19-14-16(29-9-11-30-12-10-29)13-18-22(19)25-8-7-24-18;28-21(22-25-7-12-31-22)26-15-1-3-17(4-2-15)30-19-14-16(27-8-10-29-11-9-27)13-18-20(19)24-6-5-23-18;29-21(20-24-13-25-27-20)26-14-1-3-16(4-2-14)31-18-12-15(28-7-9-30-10-8-28)11-17-19(18)23-6-5-22-17/h5-6,11-15,17H,1-4,7-10H2,(H,26,27,28);5-8,13-15,17H,1-4,9-12H2,(H,26,28);5-7,12-15,17H,1-4,8-11H2,(H,26,28);5-6,11-14,16H,1-4,7-10H2,(H,26,29)(H,24,25,27).
What are the key properties of 6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide?
6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 1744.89 g/mol, XLogP of 12.17, 20 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;6-chloro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 161003878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).