1-[1-[4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-hydroxy-4-propan-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-methyl-5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-[4-(oxan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-(4-prop-1-en-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one

C150H181F25N26O11 — CID 161373407

IUPAC1-[1-[4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-hydroxy-4-propan-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-methyl-5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-[4-(oxan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-(4-prop-1-en-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one
SMILESC=C(C)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CC(C)C1(O)CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CN1C(=O)CCC1C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C(O)C(F)(F)C(F)(F)C(F)(F)F)CC2)C1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C3CCOCC3)CC2)C1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(N3CCCC3=O)CC2)C1
InChIInChI=1S/C26H32F3N5O2.C26H33F3N4O2.C25H26F10N4O2.C25H30F3N5O2.C24H31F3N4O2.C24H29F3N4O/c1-33-23(8-9-24(33)36)17-2-5-19(6-3-17)34-13-16(14-34)10-20(35)12-30-25-21-11-18(26(27,28)29)4-7-22(21)31-15-32-25;27-26(28,29)20-3-6-24-23(12-20)25(32-16-31-24)30-13-22(34)11-17-14-33(15-17)21-4-1-18(2-5-21)19-7-9-35-10-8-19;26-22(27,24(31,32)25(33,34)35)20(41)14-1-4-16(5-2-14)39-10-13(11-39)7-17(40)9-36-21-18-8-15(23(28,29)30)3-6-19(18)37-12-38-21;26-25(27,28)17-3-8-22-21(11-17)24(31-15-30-22)29-12-20(34)10-16-13-32(14-16)18-4-6-19(7-5-18)33-9-1-2-23(33)35;1-15(2)23(33)7-5-18(6-8-23)31-12-16(13-31)9-19(32)11-28-22-20-10-17(24(25,26)27)3-4-21(20)29-14-30-22;1-15(2)17-3-6-19(7-4-17)31-12-16(13-31)9-20(32)11-28-23-21-10-18(24(25,26)27)5-8-22(21)29-14-30-23/h4,7,11,15-17,19,23H,2-3,5-6,8-10,12-14H2,1H3,(H,30,31,32);3,6,12,16-19,21H,1-2,4-5,7-11,13-15H2,(H,30,31,32);3,6,8,12-14,16,20,41H,1-2,4-5,7,9-11H2,(H,36,37,38);3,8,11,15-16,18-19H,1-2,4-7,9-10,12-14H2,(H,29,30,31);3-4,10,14-16,18,33H,5-9,11-13H2,1-2H3,(H,28,29,30);5,8,10,14,16-17,19H,1,3-4,6-7,9,11-13H2,2H3,(H,28,29,30)
InChIKeyVQTLFDIVOOSWHT-UHFFFAOYSA-N
MW2999.22 g/mol
LogP28.02
Rot. Bonds44

About 1-[1-[4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-hydroxy-4-propan-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-methyl-5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-[4-(oxan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-(4-prop-1-en-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one

1-[1-[4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-hydroxy-4-propan-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-methyl-5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-[4-(oxan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-(4-prop-1-en-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one (PubChem CID 161373407) has the molecular formula C150H181F25N26O11 and a molecular weight of 2999.22 g/mol. Its IUPAC name is 1-[1-[4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-hydroxy-4-propan-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-methyl-5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-[4-(oxan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-(4-prop-1-en-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one.

Molecular Properties

Compound Name1-[1-[4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-hydroxy-4-propan-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-methyl-5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-[4-(oxan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-(4-prop-1-en-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one
PubChem CID161373407
Molecular FormulaC150H181F25N26O11
Molecular Weight2999.22 g/mol
Exact Mass2997.40
IUPAC Name1-[1-[4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-hydroxy-4-propan-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-methyl-5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-[4-(oxan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-(4-prop-1-en-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one
SMILESC=C(C)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CC(C)C1(O)CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CN1C(=O)CCC1C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C(O)C(F)(F)C(F)(F)C(F)(F)F)CC2)C1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C3CCOCC3)CC2)C1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(N3CCCC3=O)CC2)C1
InChIInChI=1S/C26H32F3N5O2.C26H33F3N4O2.C25H26F10N4O2.C25H30F3N5O2.C24H31F3N4O2.C24H29F3N4O/c1-33-23(8-9-24(33)36)17-2-5-19(6-3-17)34-13-16(14-34)10-20(35)12-30-25-21-11-18(26(27,28)29)4-7-22(21)31-15-32-25;27-26(28,29)20-3-6-24-23(12-20)25(32-16-31-24)30-13-22(34)11-17-14-33(15-17)21-4-1-18(2-5-21)19-7-9-35-10-8-19;26-22(27,24(31,32)25(33,34)35)20(41)14-1-4-16(5-2-14)39-10-13(11-39)7-17(40)9-36-21-18-8-15(23(28,29)30)3-6-19(18)37-12-38-21;26-25(27,28)17-3-8-22-21(11-17)24(31-15-30-22)29-12-20(34)10-16-13-32(14-16)18-4-6-19(7-5-18)33-9-1-2-23(33)35;1-15(2)23(33)7-5-18(6-8-23)31-12-16(13-31)9-19(32)11-28-22-20-10-17(24(25,26)27)3-4-21(20)29-14-30-22;1-15(2)17-3-6-19(7-4-17)31-12-16(13-31)9-20(32)11-28-23-21-10-18(24(25,26)27)5-8-22(21)29-14-30-23/h4,7,11,15-17,19,23H,2-3,5-6,8-10,12-14H2,1H3,(H,30,31,32);3,6,12,16-19,21H,1-2,4-5,7-11,13-15H2,(H,30,31,32);3,6,8,12-14,16,20,41H,1-2,4-5,7,9-11H2,(H,36,37,38);3,8,11,15-16,18-19H,1-2,4-7,9-10,12-14H2,(H,29,30,31);3-4,10,14-16,18,33H,5-9,11-13H2,1-2H3,(H,28,29,30);5,8,10,14,16-17,19H,1,3-4,6-7,9,11-13H2,2H3,(H,28,29,30)
InChIKeyVQTLFDIVOOSWHT-UHFFFAOYSA-N
XLogP28.02
TPSA439.03 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds44
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002999.22
LogP ≤ 528.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-[1-[4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-hydroxy-4-propan-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-methyl-5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-[4-(oxan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-(4-prop-1-en-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-hydroxy-4-propan-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-methyl-5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-[4-(oxan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-(4-prop-1-en-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one?
The IUPAC name of 1-[1-[4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-hydroxy-4-propan-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-methyl-5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-[4-(oxan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-(4-prop-1-en-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one (CID 161373407) is 1-[1-[4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-hydroxy-4-propan-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-methyl-5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-[4-(oxan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-(4-prop-1-en-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one.
What is the SMILES notation for 1-[1-[4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-hydroxy-4-propan-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-methyl-5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-[4-(oxan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-(4-prop-1-en-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one?
The canonical SMILES for 1-[1-[4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-hydroxy-4-propan-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-methyl-5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-[4-(oxan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-(4-prop-1-en-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one is C=C(C)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CC(C)C1(O)CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CN1C(=O)CCC1C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C(O)C(F)(F)C(F)(F)C(F)(F)F)CC2)C1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C3CCOCC3)CC2)C1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(N3CCCC3=O)CC2)C1.
What is the InChIKey of 1-[1-[4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-hydroxy-4-propan-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-methyl-5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-[4-(oxan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-(4-prop-1-en-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one?
The InChIKey is VQTLFDIVOOSWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N5O2.C26H33F3N4O2.C25H26F10N4O2.C25H30F3N5O2.C24H31F3N4O2.C24H29F3N4O/c1-33-23(8-9-24(33)36)17-2-5-19(6-3-17)34-13-16(14-34)10-20(35)12-30-25-21-11-18(26(27,28)29)4-7-22(21)31-15-32-25;27-26(28,29)20-3-6-24-23(12-20)25(32-16-31-24)30-13-22(34)11-17-14-33(15-17)21-4-1-18(2-5-21)19-7-9-35-10-8-19;26-22(27,24(31,32)25(33,34)35)20(41)14-1-4-16(5-2-14)39-10-13(11-39)7-17(40)9-36-21-18-8-15(23(28,29)30)3-6-19(18)37-12-38-21;26-25(27,28)17-3-8-22-21(11-17)24(31-15-30-22)29-12-20(34)10-16-13-32(14-16)18-4-6-19(7-5-18)33-9-1-2-23(33)35;1-15(2)23(33)7-5-18(6-8-23)31-12-16(13-31)9-19(32)11-28-22-20-10-17(24(25,26)27)3-4-21(20)29-14-30-22;1-15(2)17-3-6-19(7-4-17)31-12-16(13-31)9-20(32)11-28-23-21-10-18(24(25,26)27)5-8-22(21)29-14-30-23/h4,7,11,15-17,19,23H,2-3,5-6,8-10,12-14H2,1H3,(H,30,31,32);3,6,12,16-19,21H,1-2,4-5,7-11,13-15H2,(H,30,31,32);3,6,8,12-14,16,20,41H,1-2,4-5,7,9-11H2,(H,36,37,38);3,8,11,15-16,18-19H,1-2,4-7,9-10,12-14H2,(H,29,30,31);3-4,10,14-16,18,33H,5-9,11-13H2,1-2H3,(H,28,29,30);5,8,10,14,16-17,19H,1,3-4,6-7,9,11-13H2,2H3,(H,28,29,30).
What are the key properties of 1-[1-[4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-hydroxy-4-propan-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-methyl-5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-[4-(oxan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-(4-prop-1-en-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one?
1-[1-[4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-hydroxy-4-propan-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-methyl-5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-[4-(oxan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-(4-prop-1-en-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one has a molecular weight of 2999.22 g/mol, XLogP of 28.02, 44 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-hydroxy-4-propan-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-methyl-5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-[4-(oxan-4-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;1-[1-(4-prop-1-en-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one is sourced from PubChem (CID 161373407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).