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

C142H185F10N25O13S — CID 157446142

IUPACbenzyl 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
SMILESCCC(=O)N(C)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1.CCCC(=O)N(C)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1.CCCN(C(=O)OCc1ccccc1)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1.CCN(C(=O)OCc1ccccc1)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1.CN(C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1)S(C)(=O)=O
InChIInChI=1S/C33H41F2N5O3.C32H39F2N5O3.C27H37F2N5O2.C26H35F2N5O2.C24H33F2N5O3S/c1-3-15-40(32(42)43-21-23-7-5-4-6-8-23)27-12-10-26(11-13-27)39-19-24(20-39)16-28(41)18-36-31-29-17-25(33(2,34)35)9-14-30(29)37-22-38-31;1-3-39(31(41)42-20-22-7-5-4-6-8-22)26-12-10-25(11-13-26)38-18-23(19-38)15-27(40)17-35-30-28-16-24(32(2,33)34)9-14-29(28)36-21-37-30;1-4-5-25(36)33(3)20-7-9-21(10-8-20)34-15-18(16-34)12-22(35)14-30-26-23-13-19(27(2,28)29)6-11-24(23)31-17-32-26;1-4-24(35)32(3)19-6-8-20(9-7-19)33-14-17(15-33)11-21(34)13-29-25-22-12-18(26(2,27)28)5-10-23(22)30-16-31-25;1-24(25,26)17-4-9-22-21(11-17)23(29-15-28-22)27-12-20(32)10-16-13-31(14-16)19-7-5-18(6-8-19)30(2)35(3,33)34/h4-9,14,17,22,24,26-27H,3,10-13,15-16,18-21H2,1-2H3,(H,36,37,38);4-9,14,16,21,23,25-26H,3,10-13,15,17-20H2,1-2H3,(H,35,36,37);6,11,13,17-18,20-21H,4-5,7-10,12,14-16H2,1-3H3,(H,30,31,32);5,10,12,16-17,19-20H,4,6-9,11,13-15H2,1-3H3,(H,29,30,31);4,9,11,15-16,18-19H,5-8,10,12-14H2,1-3H3,(H,27,28,29)
InChIKeyBSFYOEUSPYHXON-UHFFFAOYSA-N
MW2672.25 g/mol
LogP24.50
Rot. Bonds51

About 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

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 (PubChem CID 157446142) has the molecular formula C142H185F10N25O13S and a molecular weight of 2672.25 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-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.

Molecular Properties

Compound Namebenzyl 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
PubChem CID157446142
Molecular FormulaC142H185F10N25O13S
Molecular Weight2672.25 g/mol
Exact Mass2670.41
IUPAC Namebenzyl 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
SMILESCCC(=O)N(C)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1.CCCC(=O)N(C)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1.CCCN(C(=O)OCc1ccccc1)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1.CCN(C(=O)OCc1ccccc1)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1.CN(C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1)S(C)(=O)=O
InChIInChI=1S/C33H41F2N5O3.C32H39F2N5O3.C27H37F2N5O2.C26H35F2N5O2.C24H33F2N5O3S/c1-3-15-40(32(42)43-21-23-7-5-4-6-8-23)27-12-10-26(11-13-27)39-19-24(20-39)16-28(41)18-36-31-29-17-25(33(2,34)35)9-14-30(29)37-22-38-31;1-3-39(31(41)42-20-22-7-5-4-6-8-22)26-12-10-25(11-13-26)38-18-23(19-38)15-27(40)17-35-30-28-16-24(32(2,33)34)9-14-29(28)36-21-37-30;1-4-5-25(36)33(3)20-7-9-21(10-8-20)34-15-18(16-34)12-22(35)14-30-26-23-13-19(27(2,28)29)6-11-24(23)31-17-32-26;1-4-24(35)32(3)19-6-8-20(9-7-19)33-14-17(15-33)11-21(34)13-29-25-22-12-18(26(2,27)28)5-10-23(22)30-16-31-25;1-24(25,26)17-4-9-22-21(11-17)23(29-15-28-22)27-12-20(32)10-16-13-31(14-16)19-7-5-18(6-8-19)30(2)35(3,33)34/h4-9,14,17,22,24,26-27H,3,10-13,15-16,18-21H2,1-2H3,(H,36,37,38);4-9,14,16,21,23,25-26H,3,10-13,15,17-20H2,1-2H3,(H,35,36,37);6,11,13,17-18,20-21H,4-5,7-10,12,14-16H2,1-3H3,(H,30,31,32);5,10,12,16-17,19-20H,4,6-9,11,13-15H2,1-3H3,(H,29,30,31);4,9,11,15-16,18-19H,5-8,10,12-14H2,1-3H3,(H,27,28,29)
InChIKeyBSFYOEUSPYHXON-UHFFFAOYSA-N
XLogP24.50
TPSA427.68 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds51
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002672.25
LogP ≤ 524.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Analyze 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 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-methyl-N-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]carbamate
CID 58562520
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-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]-N-propylcarbamate
CID 58562560
benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate
CID 58562726
benzyl N-ethyl-N-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]carbamate
CID 58562883
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
N-[1-[4-(1-acetamidopropyl)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-(methanesulfonamido)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 157196448
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
N-[1-[4-(1-aminopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;1-[1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]azetidin-3-yl]-3-[(6-methylquinazolin-4-yl)amino]propan-2-one;1-[1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]azetidin-3-yl]-3-[(6-methylquinazolin-4-yl)amino]propan-2-one;1-[(6-methylquinazolin-4-yl)amino]-3-[1-(4-morpholin-4-ylcyclohexyl)azetidin-3-yl]propan-2-one;1-[(6-methylquinazolin-4-yl)amino]-3-[1-(4-thiomorpholin-4-ylcyclohexyl)azetidin-3-yl]propan-2-one;N-[1-[4-[1-[(2,2,2-trifluoroacetyl)amino]propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
CID 157326167
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-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?
The IUPAC name of 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) is 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.
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-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?
The canonical SMILES for 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 is CCC(=O)N(C)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1.CCCC(=O)N(C)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1.CCCN(C(=O)OCc1ccccc1)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1.CCN(C(=O)OCc1ccccc1)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1.CN(C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1)S(C)(=O)=O.
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-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?
The InChIKey is BSFYOEUSPYHXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41F2N5O3.C32H39F2N5O3.C27H37F2N5O2.C26H35F2N5O2.C24H33F2N5O3S/c1-3-15-40(32(42)43-21-23-7-5-4-6-8-23)27-12-10-26(11-13-27)39-19-24(20-39)16-28(41)18-36-31-29-17-25(33(2,34)35)9-14-30(29)37-22-38-31;1-3-39(31(41)42-20-22-7-5-4-6-8-22)26-12-10-25(11-13-26)38-18-23(19-38)15-27(40)17-35-30-28-16-24(32(2,33)34)9-14-29(28)36-21-37-30;1-4-5-25(36)33(3)20-7-9-21(10-8-20)34-15-18(16-34)12-22(35)14-30-26-23-13-19(27(2,28)29)6-11-24(23)31-17-32-26;1-4-24(35)32(3)19-6-8-20(9-7-19)33-14-17(15-33)11-21(34)13-29-25-22-12-18(26(2,27)28)5-10-23(22)30-16-31-25;1-24(25,26)17-4-9-22-21(11-17)23(29-15-28-22)27-12-20(32)10-16-13-31(14-16)19-7-5-18(6-8-19)30(2)35(3,33)34/h4-9,14,17,22,24,26-27H,3,10-13,15-16,18-21H2,1-2H3,(H,36,37,38);4-9,14,16,21,23,25-26H,3,10-13,15,17-20H2,1-2H3,(H,35,36,37);6,11,13,17-18,20-21H,4-5,7-10,12,14-16H2,1-3H3,(H,30,31,32);5,10,12,16-17,19-20H,4,6-9,11,13-15H2,1-3H3,(H,29,30,31);4,9,11,15-16,18-19H,5-8,10,12-14H2,1-3H3,(H,27,28,29).
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-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?
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 has a molecular weight of 2672.25 g/mol, XLogP of 24.50, 51 rotatable bonds, 5 hydrogen bond donors, and 33 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-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 is sourced from PubChem (CID 157446142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).