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

C123H141F3N20O12S2 — CID 159032439

IUPAC1-[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
SMILESC.CC(=O)C1CC(Oc2cc(-c3csc(CC(C)C)n3)nc3cc(C)ccc23)CN1C.CC(=O)C1CC(Oc2cc(-c3cscn3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2cc(C)nc3c(C(F)(F)F)cccc23)CN1C.CC(=O)C1CC(Oc2nc(-c3ccccc3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2nc(-n3ccnc3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2nc(N3CCCCC3)nc3cc(C)c(C)cc23)CN1C
InChIInChI=1S/C24H29N3O2S.C22H30N4O2.C21H21N3O2.C19H19N3O2S.C18H19F3N2O2.C18H19N5O2.CH4/c1-14(2)8-24-26-21(13-30-24)20-11-23(18-7-6-15(3)9-19(18)25-20)29-17-10-22(16(4)28)27(5)12-17;1-14-10-18-19(11-15(14)2)23-22(26-8-6-5-7-9-26)24-21(18)28-17-12-20(16(3)27)25(4)13-17;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;1-10-7-16(25-12-8-15(11(2)24)23(3)9-12)13-5-4-6-14(17(13)22-10)18(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;/h6-7,9,11,13-14,17,22H,8,10,12H2,1-5H3;10-11,17,20H,5-9,12-13H2,1-4H3;3-11,16,19H,12-13H2,1-2H3;3-6,8,10-11,13,18H,7,9H2,1-2H3;4-7,12,15H,8-9H2,1-3H3;3-8,11,13,16H,9-10H2,1-2H3;1H4
InChIKeyJVAWPKQQMWCHSG-UHFFFAOYSA-N
MW2212.74 g/mol
LogP21.01
Rot. Bonds25

About 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

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 (PubChem CID 159032439) has the molecular formula C123H141F3N20O12S2 and a molecular weight of 2212.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID159032439
Molecular FormulaC123H141F3N20O12S2
Molecular Weight2212.74 g/mol
Exact Mass2211.04
IUPAC Name1-[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
SMILESC.CC(=O)C1CC(Oc2cc(-c3csc(CC(C)C)n3)nc3cc(C)ccc23)CN1C.CC(=O)C1CC(Oc2cc(-c3cscn3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2cc(C)nc3c(C(F)(F)F)cccc23)CN1C.CC(=O)C1CC(Oc2nc(-c3ccccc3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2nc(-n3ccnc3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2nc(N3CCCCC3)nc3cc(C)c(C)cc23)CN1C
InChIInChI=1S/C24H29N3O2S.C22H30N4O2.C21H21N3O2.C19H19N3O2S.C18H19F3N2O2.C18H19N5O2.CH4/c1-14(2)8-24-26-21(13-30-24)20-11-23(18-7-6-15(3)9-19(18)25-20)29-17-10-22(16(4)28)27(5)12-17;1-14-10-18-19(11-15(14)2)23-22(26-8-6-5-7-9-26)24-21(18)28-17-12-20(16(3)27)25(4)13-17;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;1-10-7-16(25-12-8-15(11(2)24)23(3)9-12)13-5-4-6-14(17(13)22-10)18(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;/h6-7,9,11,13-14,17,22H,8,10,12H2,1-5H3;10-11,17,20H,5-9,12-13H2,1-4H3;3-11,16,19H,12-13H2,1-2H3;3-6,8,10-11,13,18H,7,9H2,1-2H3;4-7,12,15H,8-9H2,1-3H3;3-8,11,13,16H,9-10H2,1-2H3;1H4
InChIKeyJVAWPKQQMWCHSG-UHFFFAOYSA-N
XLogP21.01
TPSA340.09 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds25
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002212.74
LogP ≤ 521.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 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 with MolForge

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Related Compounds

(2S)-4-[7,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-4-yl]oxy-N-hex-5-enyl-1-(imidazole-1-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 59154096
6-(6-Cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-(oxan-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-6-pyridin-3-ylpyrazin-2-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 159116741
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
N-[6-[3-(1,1-difluoroethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;7-[3-(1-fluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]naphthalene-1-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide
CID 159499663
tert-butyl (2S)-4-[7,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-4-yl]oxy-2-[hex-5-enyl(methyl)carbamoyl]pyrrolidine-1-carboxylate;(2S)-4-[7,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-4-yl]oxy-N-hex-5-enyl-1-(imidazole-1-carbonyl)-N-methylpyrrolidine-2-carboxamide;(2S)-4-[7,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-4-yl]oxy-N-hex-5-enyl-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 160621968
8-Cyclopentyl-6-(4-pyridin-3-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one
CID 161682698
4-(1,5-Ditert-butylpyrrolidin-3-yl)oxy-7-methyl-2-pyridin-1-ium-1-ylquinoline;4-[4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methylquinolin-2-yl]-2-(2-methylpropyl)-1,3-thiazole;1-[4-[4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methylquinolin-2-yl]-1,3-thiazol-2-yl]propan-2-one
CID 157425939
4-(dimethylamino)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butan-1-one;7-[3-[(dimethylamino)methyl]indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-(oxan-4-yl)propan-1-one;7-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(3-methyl-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 157847080
1,3-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;2,6-di(propan-2-yl)-1,3-benzoxazole;1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine;bis(2,7-di(propan-2-yl)quinoline);2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole
CID 159839406
2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1,3]thiazolo[4,5-b]pyrazine;2-[5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine;N,N-diphenyl-9-[4-([1,3]thiazolo[4,5-b]pyrazin-2-yl)phenyl]carbazol-3-amine;2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1,3]thiazolo[4,5-b]pyrazine;2-[5-(5-phenylindolo[3,2-b]carbazol-11-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine;2-[4-(20-phenyl-5,10,15,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-10-yl)phenyl]-[1,3]thiazolo[4,5-b]pyrazine;2-(5-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyrazine;10-[4-[4-([1,3]thiazolo[4,5-b]pyrazin-2-yl)naphthalen-1-yl]phenyl]phenoxazine;10-[3-[3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)phenyl]phenyl]phenoxazine
CID 161574383
3-(Cyclopropylmethyl)-10-(difluoromethyl)-5,16-dimethyl-20-oxa-3,4,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;3-(2,2-difluoroethyl)-16,19-dimethyl-20-oxa-3,4,8,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,9,11,13(18),14,16,21,23-decaen-22-amine;3-ethyl-5,10,16,19-tetramethyl-20-oxa-9-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8(12),10,13(18),14,16,21,23-decaen-22-amine;3-ethyl-11,16,19-trimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8(12),9,13(18),14,16,21,23-decaen-22-amine;3-ethyl-10,16,19-trimethyl-20-oxa-9-thia-3,4,5,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8(12),10,13(18),14,16,21,23-decaen-22-amine
CID 165013186

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CC(=O)C1CC(Oc2cc(-c3csc(CC(C)C)n3)nc3cc(C)ccc23)CN1C.CC(=O)C1CC(Oc2cc(-c3cscn3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2cc(C)nc3c(C(F)(F)F)cccc23)CN1C.CC(=O)C1CC(Oc2nc(-c3ccccc3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2nc(-n3ccnc3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2nc(N3CCCCC3)nc3cc(C)c(C)cc23)CN1C.
What is the InChIKey of 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?
The InChIKey is JVAWPKQQMWCHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S.C22H30N4O2.C21H21N3O2.C19H19N3O2S.C18H19F3N2O2.C18H19N5O2.CH4/c1-14(2)8-24-26-21(13-30-24)20-11-23(18-7-6-15(3)9-19(18)25-20)29-17-10-22(16(4)28)27(5)12-17;1-14-10-18-19(11-15(14)2)23-22(26-8-6-5-7-9-26)24-21(18)28-17-12-20(16(3)27)25(4)13-17;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;1-10-7-16(25-12-8-15(11(2)24)23(3)9-12)13-5-4-6-14(17(13)22-10)18(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;/h6-7,9,11,13-14,17,22H,8,10,12H2,1-5H3;10-11,17,20H,5-9,12-13H2,1-4H3;3-11,16,19H,12-13H2,1-2H3;3-6,8,10-11,13,18H,7,9H2,1-2H3;4-7,12,15H,8-9H2,1-3H3;3-8,11,13,16H,9-10H2,1-2H3;1H4.
What are the key properties of 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?
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 has a molecular weight of 2212.74 g/mol, XLogP of 21.01, 25 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159032439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).