1-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyhepta-1,6-dien-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyheptan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3-hydroxypentan-3-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-hydroxypropan-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one

C155H199F21N24O11 — CID 161496196

IUPAC1-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyhepta-1,6-dien-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyheptan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3-hydroxypentan-3-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-hydroxypropan-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one
SMILESC=CCC(O)(CC=C)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CC(C)(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(O)(CC)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCCC(O)(CCC)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C(O)C(F)(F)F)CC2)C1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C3CCCC3)CC2)C1
InChIInChI=1S/C28H39F3N4O2.C28H35F3N4O2.C26H35F3N4O2.C26H33F3N4O.C24H31F3N4O2.C23H26F6N4O2/c2*1-3-11-27(37,12-4-2)20-5-8-22(9-6-20)35-16-19(17-35)13-23(36)15-32-26-24-14-21(28(29,30)31)7-10-25(24)33-18-34-26;1-3-25(35,4-2)18-5-8-20(9-6-18)33-14-17(15-33)11-21(34)13-30-24-22-12-19(26(27,28)29)7-10-23(22)31-16-32-24;27-26(28,29)20-7-10-24-23(12-20)25(32-16-31-24)30-13-22(34)11-17-14-33(15-17)21-8-5-19(6-9-21)18-3-1-2-4-18;1-23(2,33)16-3-6-18(7-4-16)31-12-15(13-31)9-19(32)11-28-22-20-10-17(24(25,26)27)5-8-21(20)29-14-30-22;24-22(25,26)15-3-6-19-18(8-15)21(32-12-31-19)30-9-17(34)7-13-10-33(11-13)16-4-1-14(2-5-16)20(35)23(27,28)29/h7,10,14,18-20,22,37H,3-6,8-9,11-13,15-17H2,1-2H3,(H,32,33,34);3-4,7,10,14,18-20,22,37H,1-2,5-6,8-9,11-13,15-17H2,(H,32,33,34);7,10,12,16-18,20,35H,3-6,8-9,11,13-15H2,1-2H3,(H,30,31,32);7,10,12,16-19,21H,1-6,8-9,11,13-15H2,(H,30,31,32);5,8,10,14-16,18,33H,3-4,6-7,9,11-13H2,1-2H3,(H,28,29,30);3,6,8,12-14,16,20,35H,1-2,4-5,7,9-11H2,(H,30,31,32)
InChIKeyWGFUXOKUGYQQTR-UHFFFAOYSA-N
MW2973.41 g/mol
LogP30.71
Rot. Bonds52

About 1-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyhepta-1,6-dien-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyheptan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3-hydroxypentan-3-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-hydroxypropan-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one

1-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyhepta-1,6-dien-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyheptan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3-hydroxypentan-3-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-hydroxypropan-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one (PubChem CID 161496196) has the molecular formula C155H199F21N24O11 and a molecular weight of 2973.41 g/mol. Its IUPAC name is 1-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyhepta-1,6-dien-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyheptan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3-hydroxypentan-3-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-hydroxypropan-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one.

Molecular Properties

Compound Name1-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyhepta-1,6-dien-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyheptan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3-hydroxypentan-3-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-hydroxypropan-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one
PubChem CID161496196
Molecular FormulaC155H199F21N24O11
Molecular Weight2973.41 g/mol
Exact Mass2971.54
IUPAC Name1-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyhepta-1,6-dien-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyheptan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3-hydroxypentan-3-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-hydroxypropan-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one
SMILESC=CCC(O)(CC=C)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CC(C)(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(O)(CC)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCCC(O)(CCC)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C(O)C(F)(F)F)CC2)C1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C3CCCC3)CC2)C1
InChIInChI=1S/C28H39F3N4O2.C28H35F3N4O2.C26H35F3N4O2.C26H33F3N4O.C24H31F3N4O2.C23H26F6N4O2/c2*1-3-11-27(37,12-4-2)20-5-8-22(9-6-20)35-16-19(17-35)13-23(36)15-32-26-24-14-21(28(29,30)31)7-10-25(24)33-18-34-26;1-3-25(35,4-2)18-5-8-20(9-6-18)33-14-17(15-33)11-21(34)13-30-24-22-12-19(26(27,28)29)7-10-23(22)31-16-32-24;27-26(28,29)20-7-10-24-23(12-20)25(32-16-31-24)30-13-22(34)11-17-14-33(15-17)21-8-5-19(6-9-21)18-3-1-2-4-18;1-23(2,33)16-3-6-18(7-4-16)31-12-15(13-31)9-19(32)11-28-22-20-10-17(24(25,26)27)5-8-21(20)29-14-30-22;24-22(25,26)15-3-6-19-18(8-15)21(32-12-31-19)30-9-17(34)7-13-10-33(11-13)16-4-1-14(2-5-16)20(35)23(27,28)29/h7,10,14,18-20,22,37H,3-6,8-9,11-13,15-17H2,1-2H3,(H,32,33,34);3-4,7,10,14,18-20,22,37H,1-2,5-6,8-9,11-13,15-17H2,(H,32,33,34);7,10,12,16-18,20,35H,3-6,8-9,11,13-15H2,1-2H3,(H,30,31,32);7,10,12,16-19,21H,1-6,8-9,11,13-15H2,(H,30,31,32);5,8,10,14-16,18,33H,3-4,6-7,9,11-13H2,1-2H3,(H,28,29,30);3,6,8,12-14,16,20,35H,1-2,4-5,7,9-11H2,(H,30,31,32)
InChIKeyWGFUXOKUGYQQTR-UHFFFAOYSA-N
XLogP30.71
TPSA449.87 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds52
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002973.41
LogP ≤ 530.71
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 1-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyhepta-1,6-dien-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyheptan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3-hydroxypentan-3-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-hydroxypropan-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyhepta-1,6-dien-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyheptan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3-hydroxypentan-3-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-hydroxypropan-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one?
The IUPAC name of 1-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyhepta-1,6-dien-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyheptan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3-hydroxypentan-3-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-hydroxypropan-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one (CID 161496196) is 1-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyhepta-1,6-dien-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyheptan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3-hydroxypentan-3-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-hydroxypropan-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one.
What is the SMILES notation for 1-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyhepta-1,6-dien-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyheptan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3-hydroxypentan-3-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-hydroxypropan-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one?
The canonical SMILES for 1-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyhepta-1,6-dien-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyheptan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3-hydroxypentan-3-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-hydroxypropan-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one is C=CCC(O)(CC=C)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CC(C)(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(O)(CC)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCCC(O)(CCC)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C(O)C(F)(F)F)CC2)C1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C3CCCC3)CC2)C1.
What is the InChIKey of 1-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyhepta-1,6-dien-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyheptan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3-hydroxypentan-3-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-hydroxypropan-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one?
The InChIKey is WGFUXOKUGYQQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39F3N4O2.C28H35F3N4O2.C26H35F3N4O2.C26H33F3N4O.C24H31F3N4O2.C23H26F6N4O2/c2*1-3-11-27(37,12-4-2)20-5-8-22(9-6-20)35-16-19(17-35)13-23(36)15-32-26-24-14-21(28(29,30)31)7-10-25(24)33-18-34-26;1-3-25(35,4-2)18-5-8-20(9-6-18)33-14-17(15-33)11-21(34)13-30-24-22-12-19(26(27,28)29)7-10-23(22)31-16-32-24;27-26(28,29)20-7-10-24-23(12-20)25(32-16-31-24)30-13-22(34)11-17-14-33(15-17)21-8-5-19(6-9-21)18-3-1-2-4-18;1-23(2,33)16-3-6-18(7-4-16)31-12-15(13-31)9-19(32)11-28-22-20-10-17(24(25,26)27)5-8-21(20)29-14-30-22;24-22(25,26)15-3-6-19-18(8-15)21(32-12-31-19)30-9-17(34)7-13-10-33(11-13)16-4-1-14(2-5-16)20(35)23(27,28)29/h7,10,14,18-20,22,37H,3-6,8-9,11-13,15-17H2,1-2H3,(H,32,33,34);3-4,7,10,14,18-20,22,37H,1-2,5-6,8-9,11-13,15-17H2,(H,32,33,34);7,10,12,16-18,20,35H,3-6,8-9,11,13-15H2,1-2H3,(H,30,31,32);7,10,12,16-19,21H,1-6,8-9,11,13-15H2,(H,30,31,32);5,8,10,14-16,18,33H,3-4,6-7,9,11-13H2,1-2H3,(H,28,29,30);3,6,8,12-14,16,20,35H,1-2,4-5,7,9-11H2,(H,30,31,32).
What are the key properties of 1-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyhepta-1,6-dien-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyheptan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3-hydroxypentan-3-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-hydroxypropan-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one?
1-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyhepta-1,6-dien-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyheptan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3-hydroxypentan-3-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-hydroxypropan-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one has a molecular weight of 2973.41 g/mol, XLogP of 30.71, 52 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyhepta-1,6-dien-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(4-hydroxyheptan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3-hydroxypentan-3-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2-hydroxypropan-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one is sourced from PubChem (CID 161496196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).