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

C150H201F11N30O10S2 — CID 157326167

About 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

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 (PubChem CID 157326167) has the molecular formula C150H201F11N30O10S2 and a molecular weight of 2857.57 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157326167
• Molecular Formula: C150H201F11N30O10S2
• Molecular Weight: 2857.57 g/mol
• Exact Mass: 2855.54
• IUPAC Name: 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
• SMILES: CCC(N)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NC(=O)C(F)(F)F)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.Cc1ccc2ncnc(NCC(=O)CC3CN(C4CCC(N5CCC(F)(F)C5)CC4)C3)c2c1.Cc1ccc2ncnc(NCC(=O)CC3CN(C4CCC(N5CCOCC5)CC4)C3)c2c1.Cc1ccc2ncnc(NCC(=O)CC3CN(C4CCC(N5CCS(=O)(=O)CC5)CC4)C3)c2c1.Cc1ccc2ncnc(NCC(=O)CC3CN(C4CCC(N5CCSCC5)CC4)C3)c2c1
• InChI: InChI=1S/C26H31F6N5O2.C25H33F2N5O.C25H35N5O3S.C25H35N5O2.C25H35N5OS.C24H32F3N5O/c1-2-20(36-24(39)26(30,31)32)15-3-6-18(7-4-15)37-12-17(13-37)35-23(38)10-9-22-19-11-16(25(27,28)29)5-8-21(19)33-14-34-22;1-17-2-7-23-22(10-17)24(30-16-29-23)28-12-21(33)11-18-13-32(14-18)20-5-3-19(4-6-20)31-9-8-25(26,27)15-31;1-18-2-7-24-23(12-18)25(28-17-27-24)26-14-22(31)13-19-15-30(16-19)21-5-3-20(4-6-21)29-8-10-34(32,33)11-9-29;2*1-18-2-7-24-23(12-18)25(28-17-27-24)26-14-22(31)13-19-15-30(16-19)21-5-3-20(4-6-21)29-8-10-32-11-9-29;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/h5,8,11,14-15,17-18,20H,2-4,6-7,9-10,12-13H2,1H3,(H,35,38)(H,36,39);2,7,10,16,18-20H,3-6,8-9,11-15H2,1H3,(H,28,29,30);2,7,12,17,19-21H,3-6,8-11,13-16H2,1H3,(H,26,27,28);2*2,7,12,17,19-21H,3-6,8-11,13-16H2,1H3,(H,26,27,28);5,8,11,14-15,17-18,20H,2-4,6-7,9-10,12-13,28H2,1H3,(H,31,33)
• InChIKey: BESZLVULNGJLDJ-UHFFFAOYSA-N
• XLogP: 20.74
• TPSA: 460.17 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 43
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2857.57
LogP ≤ 5	20.74
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCC(N)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NC(=O)C(F)(F)F)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.Cc1ccc2ncnc(NCC(=O)CC3CN(C4CCC(N5CCC(F)(F)C5)CC4)C3)c2c1.Cc1ccc2ncnc(NCC(=O)CC3CN(C4CCC(N5CCOCC5)CC4)C3)c2c1.Cc1ccc2ncnc(NCC(=O)CC3CN(C4CCC(N5CCS(=O)(=O)CC5)CC4)C3)c2c1.Cc1ccc2ncnc(NCC(=O)CC3CN(C4CCC(N5CCSCC5)CC4)C3)c2c1.

What is the InChIKey of 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?

The InChIKey is BESZLVULNGJLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F6N5O2.C25H33F2N5O.C25H35N5O3S.C25H35N5O2.C25H35N5OS.C24H32F3N5O/c1-2-20(36-24(39)26(30,31)32)15-3-6-18(7-4-15)37-12-17(13-37)35-23(38)10-9-22-19-11-16(25(27,28)29)5-8-21(19)33-14-34-22;1-17-2-7-23-22(10-17)24(30-16-29-23)28-12-21(33)11-18-13-32(14-18)20-5-3-19(4-6-20)31-9-8-25(26,27)15-31;1-18-2-7-24-23(12-18)25(28-17-27-24)26-14-22(31)13-19-15-30(16-19)21-5-3-20(4-6-21)29-8-10-34(32,33)11-9-29;2*1-18-2-7-24-23(12-18)25(28-17-27-24)26-14-22(31)13-19-15-30(16-19)21-5-3-20(4-6-21)29-8-10-32-11-9-29;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/h5,8,11,14-15,17-18,20H,2-4,6-7,9-10,12-13H2,1H3,(H,35,38)(H,36,39);2,7,10,16,18-20H,3-6,8-9,11-15H2,1H3,(H,28,29,30);2,7,12,17,19-21H,3-6,8-11,13-16H2,1H3,(H,26,27,28);2*2,7,12,17,19-21H,3-6,8-11,13-16H2,1H3,(H,26,27,28);5,8,11,14-15,17-18,20H,2-4,6-7,9-10,12-13,28H2,1H3,(H,31,33).

What are the key properties of 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?

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 has a molecular weight of 2857.57 g/mol, XLogP of 20.74, 43 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157326167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).