1-[1-[4-(2-amino-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-azido-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methoxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfanylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfinylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]-1,3-oxazolidin-2-one

C142H179F18N29O15S2 — CID 158458308

IUPAC1-[1-[4-(2-amino-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-azido-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methoxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfanylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfinylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]-1,3-oxazolidin-2-one
SMILESCOCC(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CS(=O)CC(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CSCC(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.NCC(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C3CNC(=O)O3)CC2)C1.[N-]=[N+]=NCC(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C24H28F3N5O3.C24H31F3N4O3S.C24H31F3N4O3.C24H31F3N4O2S.C23H28F3N7O2.C23H30F3N5O2/c25-24(26,27)16-3-6-20-19(8-16)22(31-13-30-20)28-9-18(33)7-14-11-32(12-14)17-4-1-15(2-5-17)21-10-29-23(34)35-21;1-35(34)13-22(33)16-2-5-18(6-3-16)31-11-15(12-31)8-19(32)10-28-23-20-9-17(24(25,26)27)4-7-21(20)29-14-30-23;2*1-34-13-22(33)16-2-5-18(6-3-16)31-11-15(12-31)8-19(32)10-28-23-20-9-17(24(25,26)27)4-7-21(20)29-14-30-23;24-23(25,26)16-3-6-20-19(8-16)22(30-13-29-20)28-9-18(34)7-14-11-33(12-14)17-4-1-15(2-5-17)21(35)10-31-32-27;24-23(25,26)16-3-6-20-19(8-16)22(30-13-29-20)28-10-18(32)7-14-11-31(12-14)17-4-1-15(2-5-17)21(33)9-27/h3,6,8,13-15,17,21H,1-2,4-5,7,9-12H2,(H,29,34)(H,28,30,31);4,7,9,14-16,18,22,33H,2-3,5-6,8,10-13H2,1H3,(H,28,29,30);2*4,7,9,14-16,18,22,33H,2-3,5-6,8,10-13H2,1H3,(H,28,29,30);3,6,8,13-15,17,21,35H,1-2,4-5,7,9-12H2,(H,28,29,30);3,6,8,13-15,17,21,33H,1-2,4-5,7,9-12,27H2,(H,28,29,30)
InChIKeyHEVQOBLMXGIBLF-UHFFFAOYSA-N
MW2938.28 g/mol
LogP21.63
Rot. Bonds51

About 1-[1-[4-(2-amino-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-azido-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methoxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfanylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfinylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]-1,3-oxazolidin-2-one

1-[1-[4-(2-amino-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-azido-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methoxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfanylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfinylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]-1,3-oxazolidin-2-one (PubChem CID 158458308) has the molecular formula C142H179F18N29O15S2 and a molecular weight of 2938.28 g/mol. Its IUPAC name is 1-[1-[4-(2-amino-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-azido-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methoxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfanylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfinylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name1-[1-[4-(2-amino-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-azido-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methoxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfanylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfinylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]-1,3-oxazolidin-2-one
PubChem CID158458308
Molecular FormulaC142H179F18N29O15S2
Molecular Weight2938.28 g/mol
Exact Mass2936.33
IUPAC Name1-[1-[4-(2-amino-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-azido-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methoxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfanylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfinylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]-1,3-oxazolidin-2-one
SMILESCOCC(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CS(=O)CC(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CSCC(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.NCC(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C3CNC(=O)O3)CC2)C1.[N-]=[N+]=NCC(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C24H28F3N5O3.C24H31F3N4O3S.C24H31F3N4O3.C24H31F3N4O2S.C23H28F3N7O2.C23H30F3N5O2/c25-24(26,27)16-3-6-20-19(8-16)22(31-13-30-20)28-9-18(33)7-14-11-32(12-14)17-4-1-15(2-5-17)21-10-29-23(34)35-21;1-35(34)13-22(33)16-2-5-18(6-3-16)31-11-15(12-31)8-19(32)10-28-23-20-9-17(24(25,26)27)4-7-21(20)29-14-30-23;2*1-34-13-22(33)16-2-5-18(6-3-16)31-11-15(12-31)8-19(32)10-28-23-20-9-17(24(25,26)27)4-7-21(20)29-14-30-23;24-23(25,26)16-3-6-20-19(8-16)22(30-13-29-20)28-9-18(34)7-14-11-33(12-14)17-4-1-15(2-5-17)21(35)10-31-32-27;24-23(25,26)16-3-6-20-19(8-16)22(30-13-29-20)28-10-18(32)7-14-11-31(12-14)17-4-1-15(2-5-17)21(33)9-27/h3,6,8,13-15,17,21H,1-2,4-5,7,9-12H2,(H,29,34)(H,28,30,31);4,7,9,14-16,18,22,33H,2-3,5-6,8,10-13H2,1H3,(H,28,29,30);2*4,7,9,14-16,18,22,33H,2-3,5-6,8,10-13H2,1H3,(H,28,29,30);3,6,8,13-15,17,21,35H,1-2,4-5,7,9-12H2,(H,28,29,30);3,6,8,13-15,17,21,33H,1-2,4-5,7,9-12,27H2,(H,28,29,30)
InChIKeyHEVQOBLMXGIBLF-UHFFFAOYSA-N
XLogP21.63
TPSA589.28 Ų
H-Bond Donors13
H-Bond Acceptors42
Rotatable Bonds51
Heavy Atoms206
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002938.28
LogP ≤ 521.63
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-[1-[4-(2-amino-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-azido-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methoxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfanylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfinylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2-amino-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-azido-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methoxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfanylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfinylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]-1,3-oxazolidin-2-one?
The IUPAC name of 1-[1-[4-(2-amino-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-azido-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methoxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfanylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfinylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]-1,3-oxazolidin-2-one (CID 158458308) is 1-[1-[4-(2-amino-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-azido-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methoxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfanylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfinylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 1-[1-[4-(2-amino-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-azido-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methoxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfanylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfinylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 1-[1-[4-(2-amino-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-azido-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methoxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfanylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfinylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]-1,3-oxazolidin-2-one is COCC(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CS(=O)CC(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CSCC(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.NCC(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C3CNC(=O)O3)CC2)C1.[N-]=[N+]=NCC(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.
What is the InChIKey of 1-[1-[4-(2-amino-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-azido-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methoxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfanylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfinylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]-1,3-oxazolidin-2-one?
The InChIKey is HEVQOBLMXGIBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O3.C24H31F3N4O3S.C24H31F3N4O3.C24H31F3N4O2S.C23H28F3N7O2.C23H30F3N5O2/c25-24(26,27)16-3-6-20-19(8-16)22(31-13-30-20)28-9-18(33)7-14-11-32(12-14)17-4-1-15(2-5-17)21-10-29-23(34)35-21;1-35(34)13-22(33)16-2-5-18(6-3-16)31-11-15(12-31)8-19(32)10-28-23-20-9-17(24(25,26)27)4-7-21(20)29-14-30-23;2*1-34-13-22(33)16-2-5-18(6-3-16)31-11-15(12-31)8-19(32)10-28-23-20-9-17(24(25,26)27)4-7-21(20)29-14-30-23;24-23(25,26)16-3-6-20-19(8-16)22(30-13-29-20)28-9-18(34)7-14-11-33(12-14)17-4-1-15(2-5-17)21(35)10-31-32-27;24-23(25,26)16-3-6-20-19(8-16)22(30-13-29-20)28-10-18(32)7-14-11-31(12-14)17-4-1-15(2-5-17)21(33)9-27/h3,6,8,13-15,17,21H,1-2,4-5,7,9-12H2,(H,29,34)(H,28,30,31);4,7,9,14-16,18,22,33H,2-3,5-6,8,10-13H2,1H3,(H,28,29,30);2*4,7,9,14-16,18,22,33H,2-3,5-6,8,10-13H2,1H3,(H,28,29,30);3,6,8,13-15,17,21,35H,1-2,4-5,7,9-12H2,(H,28,29,30);3,6,8,13-15,17,21,33H,1-2,4-5,7,9-12,27H2,(H,28,29,30).
What are the key properties of 1-[1-[4-(2-amino-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-azido-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methoxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfanylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfinylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]-1,3-oxazolidin-2-one?
1-[1-[4-(2-amino-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-azido-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methoxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfanylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfinylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]-1,3-oxazolidin-2-one has a molecular weight of 2938.28 g/mol, XLogP of 21.63, 51 rotatable bonds, 13 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2-amino-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-azido-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methoxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfanylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylsulfinylethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 158458308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).