N-[1-[4-[acetyl(ethyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;1-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-3-[1-[4-(oxazinan-2-yl)cyclohexyl]azetidin-3-yl]propan-2-one;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;N-[1-[4-[formyl(propyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide

C154H198F14N32O12 — CID 159653347

About N-[1-[4-[acetyl(ethyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;1-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-3-[1-[4-(oxazinan-2-yl)cyclohexyl]azetidin-3-yl]propan-2-one;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;N-[1-[4-[formyl(propyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide

N-[1-[4-[acetyl(ethyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;1-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-3-[1-[4-(oxazinan-2-yl)cyclohexyl]azetidin-3-yl]propan-2-one;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;N-[1-[4-[formyl(propyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide (PubChem CID 159653347) has the molecular formula C154H198F14N32O12 and a molecular weight of 2955.46 g/mol. Its IUPAC name is N-[1-[4-[acetyl(ethyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;1-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-3-[1-[4-(oxazinan-2-yl)cyclohexyl]azetidin-3-yl]propan-2-one;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;N-[1-[4-[formyl(propyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide.

Molecular Properties

• Compound Name: N-[1-[4-[acetyl(ethyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;1-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-3-[1-[4-(oxazinan-2-yl)cyclohexyl]azetidin-3-yl]propan-2-one;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;N-[1-[4-[formyl(propyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
• PubChem CID: 159653347
• Molecular Formula: C154H198F14N32O12
• Molecular Weight: 2955.46 g/mol
• Exact Mass: 2953.56
• IUPAC Name: N-[1-[4-[acetyl(ethyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;1-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-3-[1-[4-(oxazinan-2-yl)cyclohexyl]azetidin-3-yl]propan-2-one;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;N-[1-[4-[formyl(propyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
• SMILES: CC(F)(F)c1ccc2ncnc(NCC(=O)CC3CN(C4CCC(CN5CCCCC5=O)CC4)C3)c2c1.CC(F)(F)c1ccc2ncnc(NCC(=O)CC3CN(C4CCC(N5CCCCO5)CC4)C3)c2c1.CC(F)(F)c1ccc2ncnc(NCC(=O)CC3CN(C4CCC(N5CCCO5)CC4)C3)c2c1.CC(F)(F)c1ccc2ncnc(NCC(=O)CC3CN(C4CCC(n5ccccc5=O)CC4)C3)c2c1.CCCN(C=O)C1CCC(N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCN(C(C)=O)C1CCC(N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1
• InChI: InChI=1S/C28H37F2N5O2.C27H31F2N5O2.C26H35F2N5O2.C25H33F2N5O2.2C24H31F3N6O2/c1-28(29,30)21-7-10-25-24(13-21)27(33-18-32-25)31-14-23(36)12-20-16-35(17-20)22-8-5-19(6-9-22)15-34-11-3-2-4-26(34)37;1-27(28,29)19-5-10-24-23(13-19)26(32-17-31-24)30-14-22(35)12-18-15-33(16-18)20-6-8-21(9-7-20)34-11-3-2-4-25(34)36;1-26(27,28)19-4-9-24-23(13-19)25(31-17-30-24)29-14-22(34)12-18-15-32(16-18)20-5-7-21(8-6-20)33-10-2-3-11-35-33;1-25(26,27)18-3-8-23-22(12-18)24(30-16-29-23)28-13-21(33)11-17-14-31(15-17)19-4-6-20(7-5-19)32-9-2-10-34-32;1-3-33(15(2)34)19-7-5-18(6-8-19)32-12-17(13-32)31-22(35)11-28-23-20-10-16(24(25,26)27)4-9-21(20)29-14-30-23;1-2-9-32(15-34)18-4-6-19(7-5-18)33-12-17(13-33)31-22(35)11-28-23-20-10-16(24(25,26)27)3-8-21(20)29-14-30-23/h7,10,13,18-20,22H,2-6,8-9,11-12,14-17H2,1H3,(H,31,32,33);2-5,10-11,13,17-18,20-21H,6-9,12,14-16H2,1H3,(H,30,31,32);4,9,13,17-18,20-21H,2-3,5-8,10-12,14-16H2,1H3,(H,29,30,31);3,8,12,16-17,19-20H,2,4-7,9-11,13-15H2,1H3,(H,28,29,30);4,9-10,14,17-19H,3,5-8,11-13H2,1-2H3,(H,31,35)(H,28,29,30);3,8,10,14-15,17-19H,2,4-7,9,11-13H2,1H3,(H,31,35)(H,28,29,30)
• InChIKey: MRVUZSYZCOHPFH-UHFFFAOYSA-N
• XLogP: 23.46
• TPSA: 480.65 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 49
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2955.46
LogP ≤ 5	23.46
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[acetyl(ethyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;1-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-3-[1-[4-(oxazinan-2-yl)cyclohexyl]azetidin-3-yl]propan-2-one;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;N-[1-[4-[formyl(propyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?

The IUPAC name of N-[1-[4-[acetyl(ethyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;1-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-3-[1-[4-(oxazinan-2-yl)cyclohexyl]azetidin-3-yl]propan-2-one;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;N-[1-[4-[formyl(propyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide (CID 159653347) is N-[1-[4-[acetyl(ethyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;1-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-3-[1-[4-(oxazinan-2-yl)cyclohexyl]azetidin-3-yl]propan-2-one;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;N-[1-[4-[formyl(propyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide.

What is the SMILES notation for N-[1-[4-[acetyl(ethyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;1-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-3-[1-[4-(oxazinan-2-yl)cyclohexyl]azetidin-3-yl]propan-2-one;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;N-[1-[4-[formyl(propyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?

The canonical SMILES for N-[1-[4-[acetyl(ethyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;1-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-3-[1-[4-(oxazinan-2-yl)cyclohexyl]azetidin-3-yl]propan-2-one;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;N-[1-[4-[formyl(propyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide is CC(F)(F)c1ccc2ncnc(NCC(=O)CC3CN(C4CCC(CN5CCCCC5=O)CC4)C3)c2c1.CC(F)(F)c1ccc2ncnc(NCC(=O)CC3CN(C4CCC(N5CCCCO5)CC4)C3)c2c1.CC(F)(F)c1ccc2ncnc(NCC(=O)CC3CN(C4CCC(N5CCCO5)CC4)C3)c2c1.CC(F)(F)c1ccc2ncnc(NCC(=O)CC3CN(C4CCC(n5ccccc5=O)CC4)C3)c2c1.CCCN(C=O)C1CCC(N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCN(C(C)=O)C1CCC(N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.

What is the InChIKey of N-[1-[4-[acetyl(ethyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;1-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-3-[1-[4-(oxazinan-2-yl)cyclohexyl]azetidin-3-yl]propan-2-one;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;N-[1-[4-[formyl(propyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?

The InChIKey is MRVUZSYZCOHPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37F2N5O2.C27H31F2N5O2.C26H35F2N5O2.C25H33F2N5O2.2C24H31F3N6O2/c1-28(29,30)21-7-10-25-24(13-21)27(33-18-32-25)31-14-23(36)12-20-16-35(17-20)22-8-5-19(6-9-22)15-34-11-3-2-4-26(34)37;1-27(28,29)19-5-10-24-23(13-19)26(32-17-31-24)30-14-22(35)12-18-15-33(16-18)20-6-8-21(9-7-20)34-11-3-2-4-25(34)36;1-26(27,28)19-4-9-24-23(13-19)25(31-17-30-24)29-14-22(34)12-18-15-32(16-18)20-5-7-21(8-6-20)33-10-2-3-11-35-33;1-25(26,27)18-3-8-23-22(12-18)24(30-16-29-23)28-13-21(33)11-17-14-31(15-17)19-4-6-20(7-5-19)32-9-2-10-34-32;1-3-33(15(2)34)19-7-5-18(6-8-19)32-12-17(13-32)31-22(35)11-28-23-20-10-16(24(25,26)27)4-9-21(20)29-14-30-23;1-2-9-32(15-34)18-4-6-19(7-5-18)33-12-17(13-33)31-22(35)11-28-23-20-10-16(24(25,26)27)3-8-21(20)29-14-30-23/h7,10,13,18-20,22H,2-6,8-9,11-12,14-17H2,1H3,(H,31,32,33);2-5,10-11,13,17-18,20-21H,6-9,12,14-16H2,1H3,(H,30,31,32);4,9,13,17-18,20-21H,2-3,5-8,10-12,14-16H2,1H3,(H,29,30,31);3,8,12,16-17,19-20H,2,4-7,9-11,13-15H2,1H3,(H,28,29,30);4,9-10,14,17-19H,3,5-8,11-13H2,1-2H3,(H,31,35)(H,28,29,30);3,8,10,14-15,17-19H,2,4-7,9,11-13H2,1H3,(H,31,35)(H,28,29,30).

What are the key properties of N-[1-[4-[acetyl(ethyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;1-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-3-[1-[4-(oxazinan-2-yl)cyclohexyl]azetidin-3-yl]propan-2-one;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;N-[1-[4-[formyl(propyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?

N-[1-[4-[acetyl(ethyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;1-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-3-[1-[4-(oxazinan-2-yl)cyclohexyl]azetidin-3-yl]propan-2-one;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;N-[1-[4-[formyl(propyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide has a molecular weight of 2955.46 g/mol, XLogP of 23.46, 49 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[acetyl(ethyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;1-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-3-[1-[4-(oxazinan-2-yl)cyclohexyl]azetidin-3-yl]propan-2-one;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;N-[1-[4-[formyl(propyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide is sourced from PubChem (CID 159653347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).