About 4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide (PubChem CID 160955335) has the molecular formula C190H242N26O23
and a molecular weight of 3258.18 g/mol. Its IUPAC name is 4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide.
Frequently Asked Questions
What is the IUPAC name of 4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The IUPAC name of 4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide (CID 160955335) is 4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide.
What is the SMILES notation for 4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The canonical SMILES for 4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide is CCCCOc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1.CCN(C)CCOc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1.CN(C)CCOc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(OCCN2CCC2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(OCCN2CCCC2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(OCCN2CCOCC2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(Cc2ccccn2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(Cc2ccn[nH]2)c1.
What is the InChIKey of 4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The InChIKey is SWHREEFVNZQYJU-WPCARWMSSA-N. The full InChI is InChI=1S/C25H33N3O4.C25H33N3O3.C24H26N4O2.C24H31N3O3.C24H33N3O3.C23H31N3O3.C23H30N2O3.C22H25N5O2/c29-23(19-28-10-9-20-3-1-2-4-22(20)18-28)17-26-25(30)21-5-7-24(8-6-21)32-16-13-27-11-14-31-15-12-27;29-23(19-28-14-11-20-5-1-2-6-22(20)18-28)17-26-25(30)21-7-9-24(10-8-21)31-16-15-27-12-3-4-13-27;29-23(17-28-12-9-18-5-1-2-6-20(18)16-28)15-27-24(30)19-8-11-26-22(13-19)14-21-7-3-4-10-25-21;28-22(18-27-13-10-19-4-1-2-5-21(19)17-27)16-25-24(29)20-6-8-23(9-7-20)30-15-14-26-11-3-12-26;1-3-26(2)14-15-30-23-10-8-20(9-11-23)24(29)25-16-22(28)18-27-13-12-19-6-4-5-7-21(19)17-27;1-25(2)13-14-29-22-9-7-19(8-10-22)23(28)24-15-21(27)17-26-12-11-18-5-3-4-6-20(18)16-26;1-2-3-14-28-22-10-8-19(9-11-22)23(27)24-15-21(26)17-25-13-12-18-6-4-5-7-20(18)16-25;28-21(15-27-10-7-16-3-1-2-4-18(16)14-27)13-24-22(29)17-5-8-23-20(11-17)12-19-6-9-25-26-19/h1-8,23,29H,9-19H2,(H,26,30);1-2,5-10,23,29H,3-4,11-19H2,(H,26,30);1-8,10-11,13,23,29H,9,12,14-17H2,(H,27,30);1-2,4-9,22,28H,3,10-18H2,(H,25,29);4-11,22,28H,3,12-18H2,1-2H3,(H,25,29);3-10,21,27H,11-17H2,1-2H3,(H,24,28);4-11,21,26H,2-3,12-17H2,1H3,(H,24,27);1-6,8-9,11,21,28H,7,10,12-15H2,(H,24,29)(H,25,26)/t3*23-;2*22-;3*21-/m00000000/s1.
What are the key properties of 4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide?
4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide has a molecular weight of 3258.18 g/mol, XLogP of 16.49, 69 rotatable bonds, 17 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide is sourced from PubChem (CID 160955335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).