propyl 4-[2-[3-(aminomethyl)-4-fluorophenyl]-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-[3-(hydroxymethyl)-4-methoxyphenyl]quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(1H-indazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(2-methylindazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;sulfane

C203H216Cl8FN39O26S3 — CID 159575486

IUPACpropyl 4-[2-[3-(aminomethyl)-4-fluorophenyl]-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-[3-(hydroxymethyl)-4-methoxyphenyl]quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(1H-indazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(2-methylindazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;sulfane
SMILESCCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc(F)c(CN)c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc(OC)c(CO)c4)nc3c2)C[C@@H]1C.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc5[nH]ncc5c4)nc3c2)C[C@@H]1C.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc5nn(C)cc5c4)nc3c2)C[C@@H]1C.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccn(C)n4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4cnc5[nH]c(C)cc5c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4cnc5c(cnn5C)c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4cnc5n[nH]c(C)c5c4)nc3c2)CC1.S.S.S
InChIInChI=1S/C27H28ClN5O3.C27H30ClN3O5.2C26H26ClN5O3.C25H26ClFN4O3.2C25H25ClN6O3.C22H24ClN5O3.3H2S/c1-4-11-36-27(35)33-10-9-32(15-17(33)2)26(34)19-5-7-21-22(28)14-24(29-25(21)13-19)18-6-8-23-20(12-18)16-31(3)30-23;1-4-11-36-27(34)31-10-9-30(15-17(31)2)26(33)19-5-7-21-22(28)14-23(29-24(21)13-19)18-6-8-25(35-3)20(12-18)16-32;1-3-10-35-26(34)32-9-8-31(15-16(32)2)25(33)18-4-6-20-21(27)13-23(29-24(20)12-18)17-5-7-22-19(11-17)14-28-30-22;1-3-10-35-26(34)32-8-6-31(7-9-32)25(33)17-4-5-20-21(27)14-22(30-23(20)13-17)19-12-18-11-16(2)29-24(18)28-15-19;1-2-11-34-25(33)31-9-7-30(8-10-31)24(32)17-3-5-19-20(26)14-22(29-23(19)13-17)16-4-6-21(27)18(12-16)15-28;1-3-10-35-25(34)32-8-6-31(7-9-32)24(33)16-4-5-19-20(26)13-21(29-22(19)12-16)17-11-18-15-28-30(2)23(18)27-14-17;1-3-10-35-25(34)32-8-6-31(7-9-32)24(33)16-4-5-18-20(26)13-21(28-22(18)12-16)17-11-19-15(2)29-30-23(19)27-14-17;1-3-12-31-22(30)28-10-8-27(9-11-28)21(29)15-4-5-16-17(23)14-20(24-19(16)13-15)18-6-7-26(2)25-18;;;/h5-8,12-14,16-17H,4,9-11,15H2,1-3H3;5-8,12-14,17,32H,4,9-11,15-16H2,1-3H3;4-7,11-14,16H,3,8-10,15H2,1-2H3,(H,28,30);4-5,11-15H,3,6-10H2,1-2H3,(H,28,29);3-6,12-14H,2,7-11,15,28H2,1H3;4-5,11-15H,3,6-10H2,1-2H3;4-5,11-14H,3,6-10H2,1-2H3,(H,27,29,30);4-7,13-14H,3,8-12H2,1-2H3;3*1H2/t2*17-;16-;;;;;;;;/m000......../s1
InChIKeyMIIWECWTJYZJQY-JJPUPEPUSA-N
MW4017.03 g/mol
LogP37.02
Rot. Bonds35

About propyl 4-[2-[3-(aminomethyl)-4-fluorophenyl]-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-[3-(hydroxymethyl)-4-methoxyphenyl]quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(1H-indazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(2-methylindazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;sulfane

propyl 4-[2-[3-(aminomethyl)-4-fluorophenyl]-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-[3-(hydroxymethyl)-4-methoxyphenyl]quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(1H-indazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(2-methylindazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;sulfane (PubChem CID 159575486) has the molecular formula C203H216Cl8FN39O26S3 and a molecular weight of 4017.03 g/mol. Its IUPAC name is propyl 4-[2-[3-(aminomethyl)-4-fluorophenyl]-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-[3-(hydroxymethyl)-4-methoxyphenyl]quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(1H-indazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(2-methylindazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;sulfane.

Molecular Properties

Compound Namepropyl 4-[2-[3-(aminomethyl)-4-fluorophenyl]-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-[3-(hydroxymethyl)-4-methoxyphenyl]quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(1H-indazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(2-methylindazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;sulfane
PubChem CID159575486
Molecular FormulaC203H216Cl8FN39O26S3
Molecular Weight4017.03 g/mol
Exact Mass4010.34
IUPAC Namepropyl 4-[2-[3-(aminomethyl)-4-fluorophenyl]-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-[3-(hydroxymethyl)-4-methoxyphenyl]quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(1H-indazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(2-methylindazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;sulfane
SMILESCCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc(F)c(CN)c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc(OC)c(CO)c4)nc3c2)C[C@@H]1C.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc5[nH]ncc5c4)nc3c2)C[C@@H]1C.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc5nn(C)cc5c4)nc3c2)C[C@@H]1C.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccn(C)n4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4cnc5[nH]c(C)cc5c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4cnc5c(cnn5C)c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4cnc5n[nH]c(C)c5c4)nc3c2)CC1.S.S.S
InChIInChI=1S/C27H28ClN5O3.C27H30ClN3O5.2C26H26ClN5O3.C25H26ClFN4O3.2C25H25ClN6O3.C22H24ClN5O3.3H2S/c1-4-11-36-27(35)33-10-9-32(15-17(33)2)26(34)19-5-7-21-22(28)14-24(29-25(21)13-19)18-6-8-23-20(12-18)16-31(3)30-23;1-4-11-36-27(34)31-10-9-30(15-17(31)2)26(33)19-5-7-21-22(28)14-23(29-24(21)13-19)18-6-8-25(35-3)20(12-18)16-32;1-3-10-35-26(34)32-9-8-31(15-16(32)2)25(33)18-4-6-20-21(27)13-23(29-24(20)12-18)17-5-7-22-19(11-17)14-28-30-22;1-3-10-35-26(34)32-8-6-31(7-9-32)25(33)17-4-5-20-21(27)14-22(30-23(20)13-17)19-12-18-11-16(2)29-24(18)28-15-19;1-2-11-34-25(33)31-9-7-30(8-10-31)24(32)17-3-5-19-20(26)14-22(29-23(19)13-17)16-4-6-21(27)18(12-16)15-28;1-3-10-35-25(34)32-8-6-31(7-9-32)24(33)16-4-5-19-20(26)13-21(29-22(19)12-16)17-11-18-15-28-30(2)23(18)27-14-17;1-3-10-35-25(34)32-8-6-31(7-9-32)24(33)16-4-5-18-20(26)13-21(28-22(18)12-16)17-11-19-15(2)29-30-23(19)27-14-17;1-3-12-31-22(30)28-10-8-27(9-11-28)21(29)15-4-5-16-17(23)14-20(24-19(16)13-15)18-6-7-26(2)25-18;;;/h5-8,12-14,16-17H,4,9-11,15H2,1-3H3;5-8,12-14,17,32H,4,9-11,15-16H2,1-3H3;4-7,11-14,16H,3,8-10,15H2,1-2H3,(H,28,30);4-5,11-15H,3,6-10H2,1-2H3,(H,28,29);3-6,12-14H,2,7-11,15,28H2,1H3;4-5,11-15H,3,6-10H2,1-2H3;4-5,11-14H,3,6-10H2,1-2H3,(H,27,29,30);4-7,13-14H,3,8-12H2,1-2H3;3*1H2/t2*17-;16-;;;;;;;;/m000......../s1
InChIKeyMIIWECWTJYZJQY-JJPUPEPUSA-N
XLogP37.02
TPSA722.68 Ų
H-Bond Donors5
H-Bond Acceptors46
Rotatable Bonds35
Heavy Atoms280
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004017.03
LogP ≤ 537.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1046

Analyze propyl 4-[2-[3-(aminomethyl)-4-fluorophenyl]-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-[3-(hydroxymethyl)-4-methoxyphenyl]quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(1H-indazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(2-methylindazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;sulfane with MolForge

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Related Compounds

CID 165016796
CID 165016796
CID 157118553
CID 157118553
N-[(3-chlorophenyl)methyl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;N-[2-(3-methoxyphenyl)ethyl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;N-[(1-methylbenzimidazol-2-yl)methyl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;2-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;N-[[(2S)-oxolan-2-yl]methyl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 157269877
2-(2-but-1-ynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(5-methyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-chloro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxybutan-1-one;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[1-(2-piperidin-1-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
CID 157449707
1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-methyl-2-(tetrazol-1-yl)phenyl]methyl]urea;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(6-methoxy-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(2-methyl-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea;(3-chlorophenyl)methyl N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate;[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate
CID 158287472
CID 158341991
CID 158341991
3-[[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[[4-amino-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-(2-fluorophenyl)-8-methylisoquinolin-1-one;3-[[4-amino-3-(1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
CID 158490277
2-(4-chlorophenyl)-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;N-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide;7-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;2-(1-methylpiperidin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine
CID 158498475
N-(2-amino-2-methylpropyl)-4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 158579743
2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N,N-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-2-yl]methanamine;methyl 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromene-6-carboxylate
CID 158851581
2-(4-chlorophenyl)-4-(2-methoxyethoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2,4-diethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]-2-pyrrolidin-1-ylquinoline-7-carboxamide
CID 159414711
propyl 4-[2-[2-(aminomethyl)-1,5-dimethylpyrrol-3-yl]-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl (3S)-4-[4-chloro-2-(4-hydroxy-3-methylphenyl)quinoline-7-carbonyl]-3-methylpiperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methoxycarbonylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-methoxyethoxymethyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-3H-benzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-(4-chloro-2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate;propyl 4-(4-chloroquinoline-7-carbonyl)piperazine-1-carboxylate;sulfane
CID 159457770

Frequently Asked Questions

What is the IUPAC name of propyl 4-[2-[3-(aminomethyl)-4-fluorophenyl]-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-[3-(hydroxymethyl)-4-methoxyphenyl]quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(1H-indazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(2-methylindazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;sulfane?
The IUPAC name of propyl 4-[2-[3-(aminomethyl)-4-fluorophenyl]-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-[3-(hydroxymethyl)-4-methoxyphenyl]quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(1H-indazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(2-methylindazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;sulfane (CID 159575486) is propyl 4-[2-[3-(aminomethyl)-4-fluorophenyl]-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-[3-(hydroxymethyl)-4-methoxyphenyl]quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(1H-indazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(2-methylindazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;sulfane.
What is the SMILES notation for propyl 4-[2-[3-(aminomethyl)-4-fluorophenyl]-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-[3-(hydroxymethyl)-4-methoxyphenyl]quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(1H-indazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(2-methylindazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;sulfane?
The canonical SMILES for propyl 4-[2-[3-(aminomethyl)-4-fluorophenyl]-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-[3-(hydroxymethyl)-4-methoxyphenyl]quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(1H-indazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(2-methylindazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;sulfane is CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc(F)c(CN)c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc(OC)c(CO)c4)nc3c2)C[C@@H]1C.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc5[nH]ncc5c4)nc3c2)C[C@@H]1C.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc5nn(C)cc5c4)nc3c2)C[C@@H]1C.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccn(C)n4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4cnc5[nH]c(C)cc5c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4cnc5c(cnn5C)c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4cnc5n[nH]c(C)c5c4)nc3c2)CC1.S.S.S.
What is the InChIKey of propyl 4-[2-[3-(aminomethyl)-4-fluorophenyl]-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-[3-(hydroxymethyl)-4-methoxyphenyl]quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(1H-indazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(2-methylindazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;sulfane?
The InChIKey is MIIWECWTJYZJQY-JJPUPEPUSA-N. The full InChI is InChI=1S/C27H28ClN5O3.C27H30ClN3O5.2C26H26ClN5O3.C25H26ClFN4O3.2C25H25ClN6O3.C22H24ClN5O3.3H2S/c1-4-11-36-27(35)33-10-9-32(15-17(33)2)26(34)19-5-7-21-22(28)14-24(29-25(21)13-19)18-6-8-23-20(12-18)16-31(3)30-23;1-4-11-36-27(34)31-10-9-30(15-17(31)2)26(33)19-5-7-21-22(28)14-23(29-24(21)13-19)18-6-8-25(35-3)20(12-18)16-32;1-3-10-35-26(34)32-9-8-31(15-16(32)2)25(33)18-4-6-20-21(27)13-23(29-24(20)12-18)17-5-7-22-19(11-17)14-28-30-22;1-3-10-35-26(34)32-8-6-31(7-9-32)25(33)17-4-5-20-21(27)14-22(30-23(20)13-17)19-12-18-11-16(2)29-24(18)28-15-19;1-2-11-34-25(33)31-9-7-30(8-10-31)24(32)17-3-5-19-20(26)14-22(29-23(19)13-17)16-4-6-21(27)18(12-16)15-28;1-3-10-35-25(34)32-8-6-31(7-9-32)24(33)16-4-5-19-20(26)13-21(29-22(19)12-16)17-11-18-15-28-30(2)23(18)27-14-17;1-3-10-35-25(34)32-8-6-31(7-9-32)24(33)16-4-5-18-20(26)13-21(28-22(18)12-16)17-11-19-15(2)29-30-23(19)27-14-17;1-3-12-31-22(30)28-10-8-27(9-11-28)21(29)15-4-5-16-17(23)14-20(24-19(16)13-15)18-6-7-26(2)25-18;;;/h5-8,12-14,16-17H,4,9-11,15H2,1-3H3;5-8,12-14,17,32H,4,9-11,15-16H2,1-3H3;4-7,11-14,16H,3,8-10,15H2,1-2H3,(H,28,30);4-5,11-15H,3,6-10H2,1-2H3,(H,28,29);3-6,12-14H,2,7-11,15,28H2,1H3;4-5,11-15H,3,6-10H2,1-2H3;4-5,11-14H,3,6-10H2,1-2H3,(H,27,29,30);4-7,13-14H,3,8-12H2,1-2H3;3*1H2/t2*17-;16-;;;;;;;;/m000......../s1.
What are the key properties of propyl 4-[2-[3-(aminomethyl)-4-fluorophenyl]-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-[3-(hydroxymethyl)-4-methoxyphenyl]quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(1H-indazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(2-methylindazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;sulfane?
propyl 4-[2-[3-(aminomethyl)-4-fluorophenyl]-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-[3-(hydroxymethyl)-4-methoxyphenyl]quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(1H-indazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(2-methylindazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;sulfane has a molecular weight of 4017.03 g/mol, XLogP of 37.02, 35 rotatable bonds, 5 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[2-[3-(aminomethyl)-4-fluorophenyl]-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-[3-(hydroxymethyl)-4-methoxyphenyl]quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(1H-indazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(2-methylindazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;sulfane is sourced from PubChem (CID 159575486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).