N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-(1-aminopropyl)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;methane;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

C161H232F18N32O11 — CID 159478166

IUPACN-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-(1-aminopropyl)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;methane;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
SMILESC.C.C.C.C.C.CCC(C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1)N(C)C.CCC(N)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NC(=O)N(C)C)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NC(=O)NC)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NC(=O)OC)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NC(C)=O)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C27H37F3N6O2.C26H35F3N6O2.C26H34F3N5O3.C26H34F3N5O2.C26H36F3N5O.C24H32F3N5O.6CH4/c1-4-22(34-26(38)35(2)3)17-5-8-20(9-6-17)36-14-19(15-36)33-25(37)12-11-24-21-13-18(27(28,29)30)7-10-23(21)31-16-32-24;1-3-21(34-25(37)30-2)16-4-7-19(8-5-16)35-13-18(14-35)33-24(36)11-10-23-20-12-17(26(27,28)29)6-9-22(20)31-15-32-23;1-3-21(33-25(36)37-2)16-4-7-19(8-5-16)34-13-18(14-34)32-24(35)11-10-23-20-12-17(26(27,28)29)6-9-22(20)30-15-31-23;1-3-22(32-16(2)35)17-4-7-20(8-5-17)34-13-19(14-34)33-25(36)11-10-24-21-12-18(26(27,28)29)6-9-23(21)30-15-31-24;1-4-24(33(2)3)17-5-8-20(9-6-17)34-14-19(15-34)32-25(35)12-11-23-21-13-18(26(27,28)29)7-10-22(21)30-16-31-23;1-2-20(28)15-3-6-18(7-4-15)32-12-17(13-32)31-23(33)10-9-22-19-11-16(24(25,26)27)5-8-21(19)29-14-30-22;;;;;;/h7,10,13,16-17,19-20,22H,4-6,8-9,11-12,14-15H2,1-3H3,(H,33,37)(H,34,38);6,9,12,15-16,18-19,21H,3-5,7-8,10-11,13-14H2,1-2H3,(H,33,36)(H2,30,34,37);6,9,12,15-16,18-19,21H,3-5,7-8,10-11,13-14H2,1-2H3,(H,32,35)(H,33,36);6,9,12,15,17,19-20,22H,3-5,7-8,10-11,13-14H2,1-2H3,(H,32,35)(H,33,36);7,10,13,16-17,19-20,24H,4-6,8-9,11-12,14-15H2,1-3H3,(H,32,35);5,8,11,14-15,17-18,20H,2-4,6-7,9-10,12-13,28H2,1H3,(H,31,33);6*1H4
InChIKeyLWQONJYDLMSNKJ-UHFFFAOYSA-N
MW3133.80 g/mol
LogP27.34
Rot. Bonds47

About N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-(1-aminopropyl)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;methane;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

N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-(1-aminopropyl)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;methane;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 (PubChem CID 159478166) has the molecular formula C161H232F18N32O11 and a molecular weight of 3133.80 g/mol. Its IUPAC name is N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-(1-aminopropyl)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;methane;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.

Molecular Properties

Compound NameN-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-(1-aminopropyl)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;methane;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
PubChem CID159478166
Molecular FormulaC161H232F18N32O11
Molecular Weight3133.80 g/mol
Exact Mass3131.83
IUPAC NameN-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-(1-aminopropyl)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;methane;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
SMILESC.C.C.C.C.C.CCC(C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1)N(C)C.CCC(N)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NC(=O)N(C)C)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NC(=O)NC)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NC(=O)OC)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NC(C)=O)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C27H37F3N6O2.C26H35F3N6O2.C26H34F3N5O3.C26H34F3N5O2.C26H36F3N5O.C24H32F3N5O.6CH4/c1-4-22(34-26(38)35(2)3)17-5-8-20(9-6-17)36-14-19(15-36)33-25(37)12-11-24-21-13-18(27(28,29)30)7-10-23(21)31-16-32-24;1-3-21(34-25(37)30-2)16-4-7-19(8-5-16)35-13-18(14-35)33-24(36)11-10-23-20-12-17(26(27,28)29)6-9-22(20)31-15-32-23;1-3-21(33-25(36)37-2)16-4-7-19(8-5-16)34-13-18(14-34)32-24(35)11-10-23-20-12-17(26(27,28)29)6-9-22(20)30-15-31-23;1-3-22(32-16(2)35)17-4-7-20(8-5-17)34-13-19(14-34)33-25(36)11-10-24-21-12-18(26(27,28)29)6-9-23(21)30-15-31-24;1-4-24(33(2)3)17-5-8-20(9-6-17)34-14-19(15-34)32-25(35)12-11-23-21-13-18(26(27,28)29)7-10-22(21)30-16-31-23;1-2-20(28)15-3-6-18(7-4-15)32-12-17(13-32)31-23(33)10-9-22-19-11-16(24(25,26)27)5-8-21(19)29-14-30-22;;;;;;/h7,10,13,16-17,19-20,22H,4-6,8-9,11-12,14-15H2,1-3H3,(H,33,37)(H,34,38);6,9,12,15-16,18-19,21H,3-5,7-8,10-11,13-14H2,1-2H3,(H,33,36)(H2,30,34,37);6,9,12,15-16,18-19,21H,3-5,7-8,10-11,13-14H2,1-2H3,(H,32,35)(H,33,36);6,9,12,15,17,19-20,22H,3-5,7-8,10-11,13-14H2,1-2H3,(H,32,35)(H,33,36);7,10,13,16-17,19-20,24H,4-6,8-9,11-12,14-15H2,1-3H3,(H,32,35);5,8,11,14-15,17-18,20H,2-4,6-7,9-10,12-13,28H2,1H3,(H,31,33);6*1H4
InChIKeyLWQONJYDLMSNKJ-UHFFFAOYSA-N
XLogP27.34
TPSA518.88 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds47
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003133.80
LogP ≤ 527.34
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Analyze N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-(1-aminopropyl)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;methane;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 with MolForge

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Related Compounds

1-(4-fluorobenzyl)-N-[4-({[2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-(trifluoromethyl)quinazolin-4-yl]amino}methyl)phenyl]piperidine-4-carboxamide
CID 68943070
N-[1-[4-(1-aminopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
CID 58562468
N-[1-[4-[1-(dimethylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
CID 58562484
N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
CID 58562494
N-[1-[4-[1-(carbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
CID 58562525
3-[6-(1,1-difluoroethyl)quinazolin-4-yl]-N-[1-[4-(2-oxopiperidin-1-yl)cyclohexyl]azetidin-3-yl]propanamide
CID 58562565
methyl N-[1-[4-[3-[3-[6-(trifluoromethyl)quinazolin-4-yl]propanoylamino]azetidin-1-yl]cyclohexyl]propyl]carbamate
CID 58562586
N-[1-[4-[1-[(2,2,2-trifluoroacetyl)amino]propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
CID 58562589
N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
CID 58562616
N-[1-[4-[1-(dimethylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
CID 58562736
N-[1-[4-(2-oxopiperidin-1-yl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
CID 58562887
N-(1-cyclohexylazetidin-3-yl)-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
CID 118234875

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-(1-aminopropyl)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;methane;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?
The IUPAC name of N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-(1-aminopropyl)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;methane;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 159478166) is N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-(1-aminopropyl)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;methane;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.
What is the SMILES notation for N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-(1-aminopropyl)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;methane;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?
The canonical SMILES for N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-(1-aminopropyl)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;methane;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 is C.C.C.C.C.C.CCC(C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1)N(C)C.CCC(N)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NC(=O)N(C)C)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NC(=O)NC)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NC(=O)OC)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NC(C)=O)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.
What is the InChIKey of N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-(1-aminopropyl)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;methane;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?
The InChIKey is LWQONJYDLMSNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37F3N6O2.C26H35F3N6O2.C26H34F3N5O3.C26H34F3N5O2.C26H36F3N5O.C24H32F3N5O.6CH4/c1-4-22(34-26(38)35(2)3)17-5-8-20(9-6-17)36-14-19(15-36)33-25(37)12-11-24-21-13-18(27(28,29)30)7-10-23(21)31-16-32-24;1-3-21(34-25(37)30-2)16-4-7-19(8-5-16)35-13-18(14-35)33-24(36)11-10-23-20-12-17(26(27,28)29)6-9-22(20)31-15-32-23;1-3-21(33-25(36)37-2)16-4-7-19(8-5-16)34-13-18(14-34)32-24(35)11-10-23-20-12-17(26(27,28)29)6-9-22(20)30-15-31-23;1-3-22(32-16(2)35)17-4-7-20(8-5-17)34-13-19(14-34)33-25(36)11-10-24-21-12-18(26(27,28)29)6-9-23(21)30-15-31-24;1-4-24(33(2)3)17-5-8-20(9-6-17)34-14-19(15-34)32-25(35)12-11-23-21-13-18(26(27,28)29)7-10-22(21)30-16-31-23;1-2-20(28)15-3-6-18(7-4-15)32-12-17(13-32)31-23(33)10-9-22-19-11-16(24(25,26)27)5-8-21(19)29-14-30-22;;;;;;/h7,10,13,16-17,19-20,22H,4-6,8-9,11-12,14-15H2,1-3H3,(H,33,37)(H,34,38);6,9,12,15-16,18-19,21H,3-5,7-8,10-11,13-14H2,1-2H3,(H,33,36)(H2,30,34,37);6,9,12,15-16,18-19,21H,3-5,7-8,10-11,13-14H2,1-2H3,(H,32,35)(H,33,36);6,9,12,15,17,19-20,22H,3-5,7-8,10-11,13-14H2,1-2H3,(H,32,35)(H,33,36);7,10,13,16-17,19-20,24H,4-6,8-9,11-12,14-15H2,1-3H3,(H,32,35);5,8,11,14-15,17-18,20H,2-4,6-7,9-10,12-13,28H2,1H3,(H,31,33);6*1H4.
What are the key properties of N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-(1-aminopropyl)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;methane;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?
N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-(1-aminopropyl)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;methane;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 has a molecular weight of 3133.80 g/mol, XLogP of 27.34, 47 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-(1-aminopropyl)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;methane;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 is sourced from PubChem (CID 159478166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).