benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylacetamide;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide

C129H164F12N24O10 — CID 159706593

IUPACbenzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylacetamide;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
SMILESCC(=O)CC1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CC(=O)N(C)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1.CC(C)C(=O)N(C)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1.CN(C(=O)OCc1ccccc1)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1.CNC1CCC(N2CC(NC(=O)CNc3nccc4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C31H37F2N5O3.C27H37F2N5O2.C25H33F2N5O2.C24H29F3N4O2.C22H28F3N5O/c1-31(32,33)23-8-13-28-27(15-23)29(36-20-35-28)34-16-26(39)14-22-17-38(18-22)25-11-9-24(10-12-25)37(2)30(40)41-19-21-6-4-3-5-7-21;1-17(2)26(36)33(4)20-6-8-21(9-7-20)34-14-18(15-34)11-22(35)13-30-25-23-12-19(27(3,28)29)5-10-24(23)31-16-32-25;1-16(33)31(3)19-5-7-20(8-6-19)32-13-17(14-32)10-21(34)12-28-24-22-11-18(25(2,26)27)4-9-23(22)29-15-30-24;1-15(32)10-16-2-5-19(6-3-16)31-12-18(13-31)30-23(33)9-8-22-20-11-17(24(25,26)27)4-7-21(20)28-14-29-22;1-26-16-4-6-18(7-5-16)30-12-17(13-30)29-20(31)11-28-21-19-10-15(22(23,24)25)3-2-14(19)8-9-27-21/h3-8,13,15,20,22,24-25H,9-12,14,16-19H2,1-2H3,(H,34,35,36);5,10,12,16-18,20-21H,6-9,11,13-15H2,1-4H3,(H,30,31,32);4,9,11,15,17,19-20H,5-8,10,12-14H2,1-3H3,(H,28,29,30);4,7,11,14,16,18-19H,2-3,5-6,8-10,12-13H2,1H3,(H,30,33);2-3,8-10,16-18,26H,4-7,11-13H2,1H3,(H,27,28)(H,29,31)
InChIKeyMYHDTFKMTDPODW-UHFFFAOYSA-N
MW2438.86 g/mol
LogP20.84
Rot. Bonds40

About benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylacetamide;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide

benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylacetamide;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide (PubChem CID 159706593) has the molecular formula C129H164F12N24O10 and a molecular weight of 2438.86 g/mol. Its IUPAC name is benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylacetamide;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide.

Molecular Properties

Compound Namebenzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylacetamide;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
PubChem CID159706593
Molecular FormulaC129H164F12N24O10
Molecular Weight2438.86 g/mol
Exact Mass2437.29
IUPAC Namebenzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylacetamide;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
SMILESCC(=O)CC1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CC(=O)N(C)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1.CC(C)C(=O)N(C)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1.CN(C(=O)OCc1ccccc1)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1.CNC1CCC(N2CC(NC(=O)CNc3nccc4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C31H37F2N5O3.C27H37F2N5O2.C25H33F2N5O2.C24H29F3N4O2.C22H28F3N5O/c1-31(32,33)23-8-13-28-27(15-23)29(36-20-35-28)34-16-26(39)14-22-17-38(18-22)25-11-9-24(10-12-25)37(2)30(40)41-19-21-6-4-3-5-7-21;1-17(2)26(36)33(4)20-6-8-21(9-7-20)34-14-18(15-34)11-22(35)13-30-25-23-12-19(27(3,28)29)5-10-24(23)31-16-32-25;1-16(33)31(3)19-5-7-20(8-6-19)32-13-17(14-32)10-21(34)12-28-24-22-11-18(25(2,26)27)4-9-23(22)29-15-30-24;1-15(32)10-16-2-5-19(6-3-16)31-12-18(13-31)30-23(33)9-8-22-20-11-17(24(25,26)27)4-7-21(20)28-14-29-22;1-26-16-4-6-18(7-5-16)30-12-17(13-30)29-20(31)11-28-21-19-10-15(22(23,24)25)3-2-14(19)8-9-27-21/h3-8,13,15,20,22,24-25H,9-12,14,16-19H2,1-2H3,(H,34,35,36);5,10,12,16-18,20-21H,6-9,11,13-15H2,1-4H3,(H,30,31,32);4,9,11,15,17,19-20H,5-8,10,12-14H2,1-3H3,(H,28,29,30);4,7,11,14,16,18-19H,2-3,5-6,8-10,12-13H2,1H3,(H,30,33);2-3,8-10,16-18,26H,4-7,11-13H2,1H3,(H,27,28)(H,29,31)
InChIKeyMYHDTFKMTDPODW-UHFFFAOYSA-N
XLogP20.84
TPSA389.00 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds40
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002438.86
LogP ≤ 520.84
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Analyze benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylacetamide;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide with MolForge

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Related Compounds

benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-propylcarbamate
CID 58562490
benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-ethylcarbamate
CID 58562551
benzyl N-ethyl-N-[4-[3-[[2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetyl]amino]azetidin-1-yl]cyclohexyl]carbamate;ethane;N-methyl-N-[4-[3-[[2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetyl]amino]azetidin-1-yl]cyclohexyl]butanamide
CID 144298882
1-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-[cyclopropyl(hydroxy)methyl]-1-deuteriocyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[(7-methylisoquinolin-1-yl)amino]acetamide
CID 157203879
benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;1-methyl-5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;1-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one
CID 157244576
benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-ethylcarbamate;benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-propylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylbutanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylmethanesulfonamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylpropanamide
CID 157446142
1-[1-[4-(2,5-dihydrofuran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;2-[(7-methylisoquinolin-1-yl)amino]-N-[1-[4-(5-oxocyclohex-3-en-1-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(7-methylisoquinolin-1-yl)amino]-N-[1-[4-(3-oxocyclopentyl)cyclohexyl]azetidin-3-yl]acetamide
CID 157462071
N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(dimethylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(dimethylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;methyl N-[1-[4-[3-[3-[6-(trifluoromethyl)quinazolin-4-yl]propanoylamino]azetidin-1-yl]cyclohexyl]propyl]carbamate
CID 157831073
1-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-3-[1-[4-(1,2-oxazolidin-2-yl)cyclohexyl]azetidin-3-yl]propan-2-one;1-[[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]methyl]piperidin-2-one;1-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]pyridin-2-one;1-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]pyrrolidine-2,5-dione;3-[6-(1,1-difluoroethyl)quinazolin-4-yl]-N-[1-[4-(2-oxopiperidin-1-yl)cyclohexyl]azetidin-3-yl]propanamide;1-[4-[3-[3-[[6-(1,1-difluoroethyl)quinolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]pyridin-2-one
CID 157900084
1-[1-[4-(2,5-dihydrofuran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;methane;2-[(7-methylisoquinolin-1-yl)amino]-N-[1-[4-(5-oxocyclohex-3-en-1-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(7-methylisoquinolin-1-yl)amino]-N-[1-[4-(3-oxocyclohexyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(7-methylisoquinolin-1-yl)amino]-N-[1-[4-(3-oxocyclopentyl)cyclohexyl]azetidin-3-yl]acetamide
CID 158914096
benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-ethylcarbamate;benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-propylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylacetamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylbutanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylmethanesulfonamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylpropanamide
CID 159025206
benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylacetamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylpropanamide;methane;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
CID 159142959

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylacetamide;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide?
The IUPAC name of benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylacetamide;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide (CID 159706593) is benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylacetamide;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide.
What is the SMILES notation for benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylacetamide;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide?
The canonical SMILES for benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylacetamide;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide is CC(=O)CC1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CC(=O)N(C)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1.CC(C)C(=O)N(C)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1.CN(C(=O)OCc1ccccc1)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1.CNC1CCC(N2CC(NC(=O)CNc3nccc4ccc(C(F)(F)F)cc34)C2)CC1.
What is the InChIKey of benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylacetamide;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide?
The InChIKey is MYHDTFKMTDPODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37F2N5O3.C27H37F2N5O2.C25H33F2N5O2.C24H29F3N4O2.C22H28F3N5O/c1-31(32,33)23-8-13-28-27(15-23)29(36-20-35-28)34-16-26(39)14-22-17-38(18-22)25-11-9-24(10-12-25)37(2)30(40)41-19-21-6-4-3-5-7-21;1-17(2)26(36)33(4)20-6-8-21(9-7-20)34-14-18(15-34)11-22(35)13-30-25-23-12-19(27(3,28)29)5-10-24(23)31-16-32-25;1-16(33)31(3)19-5-7-20(8-6-19)32-13-17(14-32)10-21(34)12-28-24-22-11-18(25(2,26)27)4-9-23(22)29-15-30-24;1-15(32)10-16-2-5-19(6-3-16)31-12-18(13-31)30-23(33)9-8-22-20-11-17(24(25,26)27)4-7-21(20)28-14-29-22;1-26-16-4-6-18(7-5-16)30-12-17(13-30)29-20(31)11-28-21-19-10-15(22(23,24)25)3-2-14(19)8-9-27-21/h3-8,13,15,20,22,24-25H,9-12,14,16-19H2,1-2H3,(H,34,35,36);5,10,12,16-18,20-21H,6-9,11,13-15H2,1-4H3,(H,30,31,32);4,9,11,15,17,19-20H,5-8,10,12-14H2,1-3H3,(H,28,29,30);4,7,11,14,16,18-19H,2-3,5-6,8-10,12-13H2,1H3,(H,30,33);2-3,8-10,16-18,26H,4-7,11-13H2,1H3,(H,27,28)(H,29,31).
What are the key properties of benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylacetamide;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide?
benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylacetamide;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide has a molecular weight of 2438.86 g/mol, XLogP of 20.84, 40 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylacetamide;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide is sourced from PubChem (CID 159706593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).