1-[1-[4-[2-(dimethylamino)-1-hydroxyethyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxycyclopent-3-en-1-yl)cyclohexyl]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

C157H205F18N25O12 — CID 159103211

IUPAC1-[1-[4-[2-(dimethylamino)-1-hydroxyethyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxycyclopent-3-en-1-yl)cyclohexyl]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
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.CN(C)CC(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C3(O)CC=CC3)CC2)C1
InChIInChI=1S/C28H39F3N4O2.C28H35F3N4O2.C26H31F3N4O2.C26H35F3N4O2.C25H34F3N5O2.C24H31F3N4O2/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;27-26(28,29)19-5-8-23-22(12-19)24(32-16-31-23)30-13-21(34)11-17-14-33(15-17)20-6-3-18(4-7-20)25(35)9-1-2-10-25;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;1-32(2)14-23(35)17-3-6-19(7-4-17)33-12-16(13-33)9-20(34)11-29-24-21-10-18(25(26,27)28)5-8-22(21)30-15-31-24;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/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);1-2,5,8,12,16-18,20,35H,3-4,6-7,9-11,13-15H2,(H,30,31,32);7,10,12,16-18,20,35H,3-6,8-9,11,13-15H2,1-2H3,(H,30,31,32);5,8,10,15-17,19,23,35H,3-4,6-7,9,11-14H2,1-2H3,(H,29,30,31);5,8,10,14-16,18,33H,3-4,6-7,9,11-13H2,1-2H3,(H,28,29,30)
InChIKeyKDNWFBMDUIIAKI-UHFFFAOYSA-N
MW2976.49 g/mol
LogP28.60
Rot. Bonds54

About 1-[1-[4-[2-(dimethylamino)-1-hydroxyethyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxycyclopent-3-en-1-yl)cyclohexyl]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-(dimethylamino)-1-hydroxyethyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxycyclopent-3-en-1-yl)cyclohexyl]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 (PubChem CID 159103211) has the molecular formula C157H205F18N25O12 and a molecular weight of 2976.49 g/mol. Its IUPAC name is 1-[1-[4-[2-(dimethylamino)-1-hydroxyethyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxycyclopent-3-en-1-yl)cyclohexyl]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.

Molecular Properties

Compound Name1-[1-[4-[2-(dimethylamino)-1-hydroxyethyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxycyclopent-3-en-1-yl)cyclohexyl]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
PubChem CID159103211
Molecular FormulaC157H205F18N25O12
Molecular Weight2976.49 g/mol
Exact Mass2974.59
IUPAC Name1-[1-[4-[2-(dimethylamino)-1-hydroxyethyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxycyclopent-3-en-1-yl)cyclohexyl]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
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.CN(C)CC(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C3(O)CC=CC3)CC2)C1
InChIInChI=1S/C28H39F3N4O2.C28H35F3N4O2.C26H31F3N4O2.C26H35F3N4O2.C25H34F3N5O2.C24H31F3N4O2/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;27-26(28,29)19-5-8-23-22(12-19)24(32-16-31-23)30-13-21(34)11-17-14-33(15-17)20-6-3-18(4-7-20)25(35)9-1-2-10-25;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;1-32(2)14-23(35)17-3-6-19(7-4-17)33-12-16(13-33)9-20(34)11-29-24-21-10-18(25(26,27)28)5-8-22(21)30-15-31-24;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/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);1-2,5,8,12,16-18,20,35H,3-4,6-7,9-11,13-15H2,(H,30,31,32);7,10,12,16-18,20,35H,3-6,8-9,11,13-15H2,1-2H3,(H,30,31,32);5,8,10,15-17,19,23,35H,3-4,6-7,9,11-14H2,1-2H3,(H,29,30,31);5,8,10,14-16,18,33H,3-4,6-7,9,11-13H2,1-2H3,(H,28,29,30)
InChIKeyKDNWFBMDUIIAKI-UHFFFAOYSA-N
XLogP28.60
TPSA473.34 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds54
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002976.49
LogP ≤ 528.60
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 1-[1-[4-[2-(dimethylamino)-1-hydroxyethyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxycyclopent-3-en-1-yl)cyclohexyl]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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[2-(dimethylamino)-1-hydroxyethyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxycyclopent-3-en-1-yl)cyclohexyl]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?
The IUPAC name of 1-[1-[4-[2-(dimethylamino)-1-hydroxyethyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxycyclopent-3-en-1-yl)cyclohexyl]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 (CID 159103211) is 1-[1-[4-[2-(dimethylamino)-1-hydroxyethyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxycyclopent-3-en-1-yl)cyclohexyl]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.
What is the SMILES notation for 1-[1-[4-[2-(dimethylamino)-1-hydroxyethyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxycyclopent-3-en-1-yl)cyclohexyl]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?
The canonical SMILES for 1-[1-[4-[2-(dimethylamino)-1-hydroxyethyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxycyclopent-3-en-1-yl)cyclohexyl]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 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.CN(C)CC(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C3(O)CC=CC3)CC2)C1.
What is the InChIKey of 1-[1-[4-[2-(dimethylamino)-1-hydroxyethyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxycyclopent-3-en-1-yl)cyclohexyl]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?
The InChIKey is KDNWFBMDUIIAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39F3N4O2.C28H35F3N4O2.C26H31F3N4O2.C26H35F3N4O2.C25H34F3N5O2.C24H31F3N4O2/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;27-26(28,29)19-5-8-23-22(12-19)24(32-16-31-23)30-13-21(34)11-17-14-33(15-17)20-6-3-18(4-7-20)25(35)9-1-2-10-25;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;1-32(2)14-23(35)17-3-6-19(7-4-17)33-12-16(13-33)9-20(34)11-29-24-21-10-18(25(26,27)28)5-8-22(21)30-15-31-24;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/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);1-2,5,8,12,16-18,20,35H,3-4,6-7,9-11,13-15H2,(H,30,31,32);7,10,12,16-18,20,35H,3-6,8-9,11,13-15H2,1-2H3,(H,30,31,32);5,8,10,15-17,19,23,35H,3-4,6-7,9,11-14H2,1-2H3,(H,29,30,31);5,8,10,14-16,18,33H,3-4,6-7,9,11-13H2,1-2H3,(H,28,29,30).
What are the key properties of 1-[1-[4-[2-(dimethylamino)-1-hydroxyethyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxycyclopent-3-en-1-yl)cyclohexyl]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-(dimethylamino)-1-hydroxyethyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxycyclopent-3-en-1-yl)cyclohexyl]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 has a molecular weight of 2976.49 g/mol, XLogP of 28.60, 54 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[2-(dimethylamino)-1-hydroxyethyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxycyclopent-3-en-1-yl)cyclohexyl]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 is sourced from PubChem (CID 159103211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).