1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone

C100H107F6N15O13 — CID 158192662

IUPAC1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone
SMILESCC(=O)C1CC(Oc2cc(-n3ccnc3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)CN1C.CC(=O)C1CC(Oc2cc(C3=CCC=N3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2nc(-c3ccccc3)nc3ccccc23)CN1C.COc1cc2nc(N3CCOCC3)cc(OC3CC(C(C)=O)N(C)C3)c2cc1OC
InChIInChI=1S/C22H29N3O5.C21H21N3O2.C20H21N3O2.C19H20N4O2.C18H16F6N2O2/c1-14(26)18-9-15(13-24(18)2)30-19-12-22(25-5-7-29-8-6-25)23-17-11-21(28-4)20(27-3)10-16(17)19;1-14(25)19-12-16(13-24(19)2)26-21-17-10-6-7-11-18(17)22-20(23-21)15-8-4-3-5-9-15;1-13(24)19-10-14(12-23(19)2)25-20-11-18(17-8-5-9-21-17)22-16-7-4-3-6-15(16)20;1-13(24)17-9-14(11-22(17)2)25-18-10-19(23-8-7-20-12-23)21-16-6-4-3-5-15(16)18;1-9(27)13-6-10(8-26(13)2)28-14-7-15(18(22,23)24)25-16-11(14)4-3-5-12(16)17(19,20)21/h10-12,15,18H,5-9,13H2,1-4H3;3-11,16,19H,12-13H2,1-2H3;3-4,6-9,11,14,19H,5,10,12H2,1-2H3;3-8,10,12,14,17H,9,11H2,1-2H3;3-5,7,10,13H,6,8H2,1-2H3
InChIKeyFZYMLOPLAKNHNC-UHFFFAOYSA-N
MW1841.04 g/mol
LogP15.33
Rot. Bonds21

About 1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone

1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone (PubChem CID 158192662) has the molecular formula C100H107F6N15O13 and a molecular weight of 1841.04 g/mol. Its IUPAC name is 1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone
PubChem CID158192662
Molecular FormulaC100H107F6N15O13
Molecular Weight1841.04 g/mol
Exact Mass1839.81
IUPAC Name1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone
SMILESCC(=O)C1CC(Oc2cc(-n3ccnc3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)CN1C.CC(=O)C1CC(Oc2cc(C3=CCC=N3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2nc(-c3ccccc3)nc3ccccc23)CN1C.COc1cc2nc(N3CCOCC3)cc(OC3CC(C(C)=O)N(C)C3)c2cc1OC
InChIInChI=1S/C22H29N3O5.C21H21N3O2.C20H21N3O2.C19H20N4O2.C18H16F6N2O2/c1-14(26)18-9-15(13-24(18)2)30-19-12-22(25-5-7-29-8-6-25)23-17-11-21(28-4)20(27-3)10-16(17)19;1-14(25)19-12-16(13-24(19)2)26-21-17-10-6-7-11-18(17)22-20(23-21)15-8-4-3-5-9-15;1-13(24)19-10-14(12-23(19)2)25-20-11-18(17-8-5-9-21-17)22-16-7-4-3-6-15(16)20;1-13(24)17-9-14(11-22(17)2)25-18-10-19(23-8-7-20-12-23)21-16-6-4-3-5-15(16)18;1-9(27)13-6-10(8-26(13)2)28-14-7-15(18(22,23)24)25-16-11(14)4-3-5-12(16)17(19,20)21/h10-12,15,18H,5-9,13H2,1-4H3;3-11,16,19H,12-13H2,1-2H3;3-4,6-9,11,14,19H,5,10,12H2,1-2H3;3-8,10,12,14,17H,9,11H2,1-2H3;3-5,7,10,13H,6,8H2,1-2H3
InChIKeyFZYMLOPLAKNHNC-UHFFFAOYSA-N
XLogP15.33
TPSA286.15 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001841.04
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone with MolForge

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Related Compounds

2-[3-Fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-(3-phenyl-1,4,6-triazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-5-yl)ethanone
CID 157063929
1-[4-(2-Amino-7-methoxyquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;methane;1-[4-(7-methoxyquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone;1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone
CID 157109969
2-Cyclopropyl-4,7-dimethoxyquinazoline;2-cyclopropyloxy-4,7-dimethoxyquinazoline;4,7-dimethoxy-2-phenylquinazoline;4,7-dimethoxy-2-pyrazol-1-ylquinazoline;4,7-dimethoxy-2-pyridin-4-ylquinazoline;4-(4,7-dimethoxyquinazolin-2-yl)morpholine;4,7-dimethoxy-2-(2,2,2-trifluoroethoxy)quinazoline;2-ethoxy-4,7-dimethoxyquinazoline;2-imidazol-1-yl-4,7-dimethoxyquinazoline;4-methoxy-2-phenylquinazoline;2,4,7-trimethoxyquinazoline;4,6,7-trimethoxy-2-(trifluoromethyl)quinazoline
CID 158664576
7-Chloro-4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2,8-bis(trifluoromethyl)quinoline;4-[4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethoxyquinazolin-2-yl]morpholine;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-imidazol-1-ylquinazoline;5-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-amine;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methoxyquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-(trifluoromethyl)quinoline
CID 158932148
1-[4-[2,8-Bis(trifluoromethyl)quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(1,3-thiazol-4-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone
CID 159235195
2-[[6-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-(3,3-dimethylbutyl)-5-fluoropyrimidin-4-amine;2-[[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[5-fluoro-6-(2-quinolin-6-ylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-4,4-dimethylpentanamide
CID 159666779
1-[4-(2-Amino-7-methoxyquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-[4-(7-methoxyquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone;1-[1-methyl-4-[7-(trifluoromethyl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone
CID 160126313
N-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-N-(1H-indol-3-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(3R)-3-(3-methylbutyl)oxan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;(3S,4R)-4-[[(1R)-1-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]ethyl]amino]oxolan-3-ol
CID 163437670
N-benzyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 163601579
1-[2-(4,4-Difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-amine;1-[2-imidazol-1-yl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-amine;1-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-amine;1-[6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-yl]piperidin-2-amine;1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-amine
CID 163781275
2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(pyridin-2-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(pyridin-3-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(pyridin-4-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(trifluoromethyl)quinazolin-4-amine
CID 164163307
6-[3-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl]propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-[(4aR,7aR)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl]propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-[(4aR,7aR)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-[(4aR,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;2-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]-1,3,3a,6,7,7a-hexahydropyrano[3,4-c]pyrrol-4-one
CID 157440979

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone (CID 158192662) is 1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone is CC(=O)C1CC(Oc2cc(-n3ccnc3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)CN1C.CC(=O)C1CC(Oc2cc(C3=CCC=N3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2nc(-c3ccccc3)nc3ccccc23)CN1C.COc1cc2nc(N3CCOCC3)cc(OC3CC(C(C)=O)N(C)C3)c2cc1OC.
What is the InChIKey of 1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone?
The InChIKey is FZYMLOPLAKNHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5.C21H21N3O2.C20H21N3O2.C19H20N4O2.C18H16F6N2O2/c1-14(26)18-9-15(13-24(18)2)30-19-12-22(25-5-7-29-8-6-25)23-17-11-21(28-4)20(27-3)10-16(17)19;1-14(25)19-12-16(13-24(19)2)26-21-17-10-6-7-11-18(17)22-20(23-21)15-8-4-3-5-9-15;1-13(24)19-10-14(12-23(19)2)25-20-11-18(17-8-5-9-21-17)22-16-7-4-3-6-15(16)20;1-13(24)17-9-14(11-22(17)2)25-18-10-19(23-8-7-20-12-23)21-16-6-4-3-5-15(16)18;1-9(27)13-6-10(8-26(13)2)28-14-7-15(18(22,23)24)25-16-11(14)4-3-5-12(16)17(19,20)21/h10-12,15,18H,5-9,13H2,1-4H3;3-11,16,19H,12-13H2,1-2H3;3-4,6-9,11,14,19H,5,10,12H2,1-2H3;3-8,10,12,14,17H,9,11H2,1-2H3;3-5,7,10,13H,6,8H2,1-2H3.
What are the key properties of 1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone?
1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone has a molecular weight of 1841.04 g/mol, XLogP of 15.33, 21 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone is sourced from PubChem (CID 158192662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).