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

C97H103F6N17O13S — CID 159235195

IUPAC1-[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
SMILESCC(=O)C1CC(Oc2cc(-c3cscn3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)CN1C.CC(=O)C1CC(Oc2nc(-c3ccccc3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2nc(-n3ccnc3)nc3ccccc23)CN1C.COc1cc2nc(N3CCOCC3)nc(OC3CC(C(C)=O)N(C)C3)c2cc1OC
InChIInChI=1S/C21H28N4O5.C21H21N3O2.C19H19N3O2S.C18H16F6N2O2.C18H19N5O2/c1-13(26)17-9-14(12-24(17)2)30-20-15-10-18(27-3)19(28-4)11-16(15)22-21(23-20)25-5-7-29-8-6-25;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;1-12(23)18-7-13(9-22(18)2)24-19-8-16(17-10-25-11-20-17)21-15-6-4-3-5-14(15)19;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;1-12(24)16-9-13(10-22(16)2)25-17-14-5-3-4-6-15(14)20-18(21-17)23-8-7-19-11-23/h10-11,14,17H,5-9,12H2,1-4H3;3-11,16,19H,12-13H2,1-2H3;3-6,8,10-11,13,18H,7,9H2,1-2H3;3-5,7,10,13H,6,8H2,1-2H3;3-8,11,13,16H,9-10H2,1-2H3
InChIKeyKTJPKXZMYMNPGN-UHFFFAOYSA-N
MW1861.05 g/mol
LogP14.43
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-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

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 (PubChem CID 159235195) has the molecular formula C97H103F6N17O13S and a molecular weight of 1861.05 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-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.

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-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
PubChem CID159235195
Molecular FormulaC97H103F6N17O13S
Molecular Weight1861.05 g/mol
Exact Mass1859.75
IUPAC Name1-[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
SMILESCC(=O)C1CC(Oc2cc(-c3cscn3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)CN1C.CC(=O)C1CC(Oc2nc(-c3ccccc3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2nc(-n3ccnc3)nc3ccccc23)CN1C.COc1cc2nc(N3CCOCC3)nc(OC3CC(C(C)=O)N(C)C3)c2cc1OC
InChIInChI=1S/C21H28N4O5.C21H21N3O2.C19H19N3O2S.C18H16F6N2O2.C18H19N5O2/c1-13(26)17-9-14(12-24(17)2)30-20-15-10-18(27-3)19(28-4)11-16(15)22-21(23-20)25-5-7-29-8-6-25;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;1-12(23)18-7-13(9-22(18)2)24-19-8-16(17-10-25-11-20-17)21-15-6-4-3-5-14(15)19;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;1-12(24)16-9-13(10-22(16)2)25-17-14-5-3-4-6-15(14)20-18(21-17)23-8-7-19-11-23/h10-11,14,17H,5-9,12H2,1-4H3;3-11,16,19H,12-13H2,1-2H3;3-6,8,10-11,13,18H,7,9H2,1-2H3;3-5,7,10,13H,6,8H2,1-2H3;3-8,11,13,16H,9-10H2,1-2H3
InChIKeyKTJPKXZMYMNPGN-UHFFFAOYSA-N
XLogP14.43
TPSA312.46 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds21
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001861.05
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 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 with MolForge

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Related Compounds

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
1-[4-(6,7-Dimethyl-2-piperidin-1-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;methane;1-[1-methyl-4-[7-methyl-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-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-(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 159032439
1-[5-[2-[(6,7-Dimethoxyquinazolin-4-yl)amino]ethyl]pyrazin-2-yl]-3-phenylurea;1-[6-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-3-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-(3-fluorophenyl)urea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylurea;1-[5-[2-(6,7-dimethoxyquinazolin-4-yl)oxyethyl]-1,3-thiazol-2-yl]-3-phenylurea
CID 157137267
7-(1,3-benzodioxol-5-ylmethoxy)-N-(2-fluoro-4-methylphenyl)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[2-(2-methyl-1,3-thiazol-4-yl)ethoxy]quinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine
CID 157437112
4-(5-tert-butylpyrrolidin-3-yl)oxy-2-(3H-pyrrol-5-yl)quinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethoxy-2-piperidin-1-ylquinazoline;4-[4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-2-(2-methylpropyl)-1,3-thiazole;1-[4-[4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-1,3-thiazol-2-yl]propan-2-one;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-phenylquinazoline;2-methylpropane
CID 159115532
1-[4-(6,7-dimethoxy-2-morpholin-4-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-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone
CID 159533281
4-(4-Tert-butyl-6,7-dimethoxyquinazolin-2-yl)morpholine;4-tert-butyl-2-imidazol-1-ylquinazoline;4-tert-butyl-7-methoxy-2-phenylquinoline;4-tert-butyl-2-phenylquinazoline;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole
CID 160282099

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-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?
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-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) is 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.
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-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?
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-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 is CC(=O)C1CC(Oc2cc(-c3cscn3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)CN1C.CC(=O)C1CC(Oc2nc(-c3ccccc3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2nc(-n3ccnc3)nc3ccccc23)CN1C.COc1cc2nc(N3CCOCC3)nc(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-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?
The InChIKey is KTJPKXZMYMNPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5.C21H21N3O2.C19H19N3O2S.C18H16F6N2O2.C18H19N5O2/c1-13(26)17-9-14(12-24(17)2)30-20-15-10-18(27-3)19(28-4)11-16(15)22-21(23-20)25-5-7-29-8-6-25;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;1-12(23)18-7-13(9-22(18)2)24-19-8-16(17-10-25-11-20-17)21-15-6-4-3-5-14(15)19;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;1-12(24)16-9-13(10-22(16)2)25-17-14-5-3-4-6-15(14)20-18(21-17)23-8-7-19-11-23/h10-11,14,17H,5-9,12H2,1-4H3;3-11,16,19H,12-13H2,1-2H3;3-6,8,10-11,13,18H,7,9H2,1-2H3;3-5,7,10,13H,6,8H2,1-2H3;3-8,11,13,16H,9-10H2,1-2H3.
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-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?
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 has a molecular weight of 1861.05 g/mol, XLogP of 14.43, 21 rotatable bonds, 0 hydrogen bond donors, and 31 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-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 is sourced from PubChem (CID 159235195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).