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;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

C151H204F12N30O10S2 — CID 159195712

About 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;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;N-[1-[4-[1-(dimethylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;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 159195712) has the molecular formula C151H204F12N30O10S2 and a molecular weight of 2891.60 g/mol. Its IUPAC name is 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;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;N-[1-[4-[1-(dimethylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;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: 159195712
• Molecular Formula: C151H204F12N30O10S2
• Molecular Weight: 2891.60 g/mol
• Exact Mass: 2889.56
• IUPAC Name: 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;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(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)C(F)(F)F)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.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.C26H36F3N5O.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;1-4-24(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;1-18-2-7-24-23(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);7,10,13,16-17,19-20,24H,4-6,8-9,11-12,14-15H2,1-3H3,(H,32,35);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: KOQCZBYMYGUMJZ-UHFFFAOYSA-N
• XLogP: 21.12
• TPSA: 460.17 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 44
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2891.60
LogP ≤ 5	21.12
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

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;N-[1-[4-[1-(dimethylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;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;N-[1-[4-[1-(dimethylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;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 159195712) is 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;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;N-[1-[4-[1-(dimethylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;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;N-[1-[4-[1-(dimethylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;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(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)C(F)(F)F)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.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;N-[1-[4-[1-(dimethylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;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 KOQCZBYMYGUMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F6N5O2.C26H36F3N5O.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;1-4-24(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;1-18-2-7-24-23(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);7,10,13,16-17,19-20,24H,4-6,8-9,11-12,14-15H2,1-3H3,(H,32,35);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;N-[1-[4-[1-(dimethylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;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;N-[1-[4-[1-(dimethylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;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 2891.60 g/mol, XLogP of 21.12, 44 rotatable bonds, 8 hydrogen bond donors, and 37 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;N-[1-[4-[1-(dimethylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;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 159195712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).