N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[4-(methylamino)-4-oxobutyl]piperazin-1-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylpyrrolidin-3-yl)oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyrrolidin-3-yloxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide

C193H255F3N32O22S — CID 158118803

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[4-(methylamino)-4-oxobutyl]piperazin-1-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylpyrrolidin-3-yl)oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyrrolidin-3-yloxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCN(C)CCCOc1ccc(C(=O)NCC(O)CN2CCc3ccccc3C2)cc1.CN1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)C1.CN1CCC(Oc2ccc(C(=O)NCC(O)CN3CCc4ccccc4C3)cc2)C1.CNC(=O)CCCN1CCN(Cc2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(N2CCS(=O)(=O)CC2)cc1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(OC2CCNC2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2CCN(CC(F)(F)F)C2)ncn1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2CCNCC2)ncn1
InChIInChI=1S/C29H41N5O3.C24H30F3N5O2.C24H31N3O3.C24H33N3O3.2C23H31N5O2.C23H29N3O4S.C23H29N3O3/c1-30-28(36)10-5-12-32-14-16-33(17-15-32)20-23-6-4-9-25(18-23)29(37)31-19-27(35)22-34-13-11-24-7-2-3-8-26(24)21-34;25-24(26,27)15-32-7-5-17(12-32)9-20-10-22(30-16-29-20)23(34)28-11-21(33)14-31-8-6-18-3-1-2-4-19(18)13-31;1-26-12-11-23(17-26)30-22-8-6-19(7-9-22)24(29)25-14-21(28)16-27-13-10-18-4-2-3-5-20(18)15-27;1-26(2)13-5-15-30-23-10-8-20(9-11-23)24(29)25-16-22(28)18-27-14-12-19-6-3-4-7-21(19)17-27;1-27-8-6-17(13-27)10-20-11-22(26-16-25-20)23(30)24-12-21(29)15-28-9-7-18-4-2-3-5-19(18)14-28;29-21(15-28-10-7-18-3-1-2-4-19(18)14-28)13-25-23(30)22-12-20(26-16-27-22)11-17-5-8-24-9-6-17;27-22(17-25-10-9-18-3-1-2-4-20(18)16-25)15-24-23(28)19-5-7-21(8-6-19)26-11-13-31(29,30)14-12-26;27-20(16-26-12-10-17-3-1-2-4-19(17)15-26)13-25-23(28)18-5-7-21(8-6-18)29-22-9-11-24-14-22/h2-4,6-9,18,27,35H,5,10-17,19-22H2,1H3,(H,30,36)(H,31,37);1-4,10,16-17,21,33H,5-9,11-15H2,(H,28,34);2-9,21,23,28H,10-17H2,1H3,(H,25,29);3-4,6-11,22,28H,5,12-18H2,1-2H3,(H,25,29);2-5,11,16-17,21,29H,6-10,12-15H2,1H3,(H,24,30);1-4,12,16-17,21,24,29H,5-11,13-15H2,(H,25,30);1-8,22,27H,9-17H2,(H,24,28);1-8,20,22,24,27H,9-16H2,(H,25,28)/t;17?,21-;;;17?,21-;21-;;/m.0..00../s1
InChIKeyFRIUFDVHQIYIJA-NASLLKJRSA-N
MW3464.43 g/mol
LogP12.55
Rot. Bonds63

About N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[4-(methylamino)-4-oxobutyl]piperazin-1-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylpyrrolidin-3-yl)oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyrrolidin-3-yloxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[4-(methylamino)-4-oxobutyl]piperazin-1-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylpyrrolidin-3-yl)oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyrrolidin-3-yloxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 158118803) has the molecular formula C193H255F3N32O22S and a molecular weight of 3464.43 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[4-(methylamino)-4-oxobutyl]piperazin-1-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylpyrrolidin-3-yl)oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyrrolidin-3-yloxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[4-(methylamino)-4-oxobutyl]piperazin-1-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylpyrrolidin-3-yl)oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyrrolidin-3-yloxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
PubChem CID158118803
Molecular FormulaC193H255F3N32O22S
Molecular Weight3464.43 g/mol
Exact Mass3461.95
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[4-(methylamino)-4-oxobutyl]piperazin-1-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylpyrrolidin-3-yl)oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyrrolidin-3-yloxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCN(C)CCCOc1ccc(C(=O)NCC(O)CN2CCc3ccccc3C2)cc1.CN1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)C1.CN1CCC(Oc2ccc(C(=O)NCC(O)CN3CCc4ccccc4C3)cc2)C1.CNC(=O)CCCN1CCN(Cc2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(N2CCS(=O)(=O)CC2)cc1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(OC2CCNC2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2CCN(CC(F)(F)F)C2)ncn1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2CCNCC2)ncn1
InChIInChI=1S/C29H41N5O3.C24H30F3N5O2.C24H31N3O3.C24H33N3O3.2C23H31N5O2.C23H29N3O4S.C23H29N3O3/c1-30-28(36)10-5-12-32-14-16-33(17-15-32)20-23-6-4-9-25(18-23)29(37)31-19-27(35)22-34-13-11-24-7-2-3-8-26(24)21-34;25-24(26,27)15-32-7-5-17(12-32)9-20-10-22(30-16-29-20)23(34)28-11-21(33)14-31-8-6-18-3-1-2-4-19(18)13-31;1-26-12-11-23(17-26)30-22-8-6-19(7-9-22)24(29)25-14-21(28)16-27-13-10-18-4-2-3-5-20(18)15-27;1-26(2)13-5-15-30-23-10-8-20(9-11-23)24(29)25-16-22(28)18-27-14-12-19-6-3-4-7-21(19)17-27;1-27-8-6-17(13-27)10-20-11-22(26-16-25-20)23(30)24-12-21(29)15-28-9-7-18-4-2-3-5-19(18)14-28;29-21(15-28-10-7-18-3-1-2-4-19(18)14-28)13-25-23(30)22-12-20(26-16-27-22)11-17-5-8-24-9-6-17;27-22(17-25-10-9-18-3-1-2-4-20(18)16-25)15-24-23(28)19-5-7-21(8-6-19)26-11-13-31(29,30)14-12-26;27-20(16-26-12-10-17-3-1-2-4-19(17)15-26)13-25-23(28)18-5-7-21(8-6-18)29-22-9-11-24-14-22/h2-4,6-9,18,27,35H,5,10-17,19-22H2,1H3,(H,30,36)(H,31,37);1-4,10,16-17,21,33H,5-9,11-15H2,(H,28,34);2-9,21,23,28H,10-17H2,1H3,(H,25,29);3-4,6-11,22,28H,5,12-18H2,1-2H3,(H,25,29);2-5,11,16-17,21,29H,6-10,12-15H2,1H3,(H,24,30);1-4,12,16-17,21,24,29H,5-11,13-15H2,(H,25,30);1-8,22,27H,9-17H2,(H,24,28);1-8,20,22,24,27H,9-16H2,(H,25,28)/t;17?,21-;;;17?,21-;21-;;/m.0..00../s1
InChIKeyFRIUFDVHQIYIJA-NASLLKJRSA-N
XLogP12.55
TPSA635.57 Ų
H-Bond Donors19
H-Bond Acceptors45
Rotatable Bonds63
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003464.43
LogP ≤ 512.55
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[4-(methylamino)-4-oxobutyl]piperazin-1-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylpyrrolidin-3-yl)oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyrrolidin-3-yloxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide with MolForge

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Related Compounds

bis((4S)-1-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one);6-[(1-acetylpyrrolidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-(oxolan-3-ylmethyl)pyridine-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(pyrrolidin-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine-4-carboxamide
CID 157124343
CID 157232373
CID 157232373
CID 157415825
CID 157415825
CID 158245203
CID 158245203
CID 158453014
CID 158453014
CID 158502304
CID 158502304
bis((4S)-1-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one);N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylpiperidin-4-yl)oxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(pyrrolidin-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine-4-carboxamide
CID 158745896
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylpyrrolidin-3-yl)oxybenzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-(oxan-4-yloxy)pyridine-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 158862407
4-tert-butyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine
CID 159471554
CID 159481517
CID 159481517
CID 160428418
CID 160428418
4-tert-butyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine
CID 161390710

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[4-(methylamino)-4-oxobutyl]piperazin-1-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylpyrrolidin-3-yl)oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyrrolidin-3-yloxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[4-(methylamino)-4-oxobutyl]piperazin-1-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylpyrrolidin-3-yl)oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyrrolidin-3-yloxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide (CID 158118803) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[4-(methylamino)-4-oxobutyl]piperazin-1-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylpyrrolidin-3-yl)oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyrrolidin-3-yloxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[4-(methylamino)-4-oxobutyl]piperazin-1-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylpyrrolidin-3-yl)oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyrrolidin-3-yloxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[4-(methylamino)-4-oxobutyl]piperazin-1-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylpyrrolidin-3-yl)oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyrrolidin-3-yloxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide is CN(C)CCCOc1ccc(C(=O)NCC(O)CN2CCc3ccccc3C2)cc1.CN1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)C1.CN1CCC(Oc2ccc(C(=O)NCC(O)CN3CCc4ccccc4C3)cc2)C1.CNC(=O)CCCN1CCN(Cc2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(N2CCS(=O)(=O)CC2)cc1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(OC2CCNC2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2CCN(CC(F)(F)F)C2)ncn1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2CCNCC2)ncn1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[4-(methylamino)-4-oxobutyl]piperazin-1-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylpyrrolidin-3-yl)oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyrrolidin-3-yloxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is FRIUFDVHQIYIJA-NASLLKJRSA-N. The full InChI is InChI=1S/C29H41N5O3.C24H30F3N5O2.C24H31N3O3.C24H33N3O3.2C23H31N5O2.C23H29N3O4S.C23H29N3O3/c1-30-28(36)10-5-12-32-14-16-33(17-15-32)20-23-6-4-9-25(18-23)29(37)31-19-27(35)22-34-13-11-24-7-2-3-8-26(24)21-34;25-24(26,27)15-32-7-5-17(12-32)9-20-10-22(30-16-29-20)23(34)28-11-21(33)14-31-8-6-18-3-1-2-4-19(18)13-31;1-26-12-11-23(17-26)30-22-8-6-19(7-9-22)24(29)25-14-21(28)16-27-13-10-18-4-2-3-5-20(18)15-27;1-26(2)13-5-15-30-23-10-8-20(9-11-23)24(29)25-16-22(28)18-27-14-12-19-6-3-4-7-21(19)17-27;1-27-8-6-17(13-27)10-20-11-22(26-16-25-20)23(30)24-12-21(29)15-28-9-7-18-4-2-3-5-19(18)14-28;29-21(15-28-10-7-18-3-1-2-4-19(18)14-28)13-25-23(30)22-12-20(26-16-27-22)11-17-5-8-24-9-6-17;27-22(17-25-10-9-18-3-1-2-4-20(18)16-25)15-24-23(28)19-5-7-21(8-6-19)26-11-13-31(29,30)14-12-26;27-20(16-26-12-10-17-3-1-2-4-19(17)15-26)13-25-23(28)18-5-7-21(8-6-18)29-22-9-11-24-14-22/h2-4,6-9,18,27,35H,5,10-17,19-22H2,1H3,(H,30,36)(H,31,37);1-4,10,16-17,21,33H,5-9,11-15H2,(H,28,34);2-9,21,23,28H,10-17H2,1H3,(H,25,29);3-4,6-11,22,28H,5,12-18H2,1-2H3,(H,25,29);2-5,11,16-17,21,29H,6-10,12-15H2,1H3,(H,24,30);1-4,12,16-17,21,24,29H,5-11,13-15H2,(H,25,30);1-8,22,27H,9-17H2,(H,24,28);1-8,20,22,24,27H,9-16H2,(H,25,28)/t;17?,21-;;;17?,21-;21-;;/m.0..00../s1.
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[4-(methylamino)-4-oxobutyl]piperazin-1-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylpyrrolidin-3-yl)oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyrrolidin-3-yloxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide?
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[4-(methylamino)-4-oxobutyl]piperazin-1-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylpyrrolidin-3-yl)oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyrrolidin-3-yloxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 3464.43 g/mol, XLogP of 12.55, 63 rotatable bonds, 19 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[4-(methylamino)-4-oxobutyl]piperazin-1-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylpyrrolidin-3-yl)oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyrrolidin-3-yloxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 158118803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).