About 16-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3S)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3R)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-(4-methylphenyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;4-(8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraen-16-ylmethyl)morpholine
16-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3S)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3R)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-(4-methylphenyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;4-(8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraen-16-ylmethyl)morpholine (PubChem CID 161062246) has the molecular formula C142H167N23O
and a molecular weight of 2212.06 g/mol. Its IUPAC name is 16-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3S)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3R)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-(4-methylphenyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;4-(8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraen-16-ylmethyl)morpholine.
Frequently Asked Questions
What is the IUPAC name of 16-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3S)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3R)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-(4-methylphenyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;4-(8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraen-16-ylmethyl)morpholine?
The IUPAC name of 16-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3S)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3R)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-(4-methylphenyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;4-(8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraen-16-ylmethyl)morpholine (CID 161062246) is 16-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3S)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3R)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-(4-methylphenyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;4-(8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraen-16-ylmethyl)morpholine.
What is the SMILES notation for 16-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3S)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3R)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-(4-methylphenyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;4-(8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraen-16-ylmethyl)morpholine?
The canonical SMILES for 16-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3S)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3R)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-(4-methylphenyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;4-(8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraen-16-ylmethyl)morpholine is Cc1ccc(-c2ccc3c(c2)nc2n3CCCN3CCCCC3C2)cc1.c1cc2c(cc1CN1CCOCC1)nc1n2CCCN2CCCCC2C1.c1cc2ccc(-c3ccc4c(c3)nc3n4CCCN4CCCCC4C3)cn2c1.c1cc2ccc(-c3ccc4c(c3)nc3n4CCCN4CCCC[C@@H]4C3)cn2c1.c1cc2ccc(-c3ccc4c(c3)nc3n4CCCN4CCCC[C@H]4C3)cn2c1.c1ccc2c(c1)CCN(Cc1ccc3c(c1)nc1n3CCCN3CCCCC3C1)C2.
What is the InChIKey of 16-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3S)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3R)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-(4-methylphenyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;4-(8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraen-16-ylmethyl)morpholine?
The InChIKey is UDNZHHJZNJMWIJ-SJNQVXKNSA-N. The full InChI is InChI=1S/C26H32N4.3C24H26N4.C23H27N3.C21H30N4O/c1-2-7-22-19-28(15-11-21(22)6-1)18-20-9-10-25-24(16-20)27-26-17-23-8-3-4-12-29(23)13-5-14-30(25)26;3*1-2-11-26-13-4-14-28-23-10-8-18(15-22(23)25-24(28)16-21(26)5-1)19-7-9-20-6-3-12-27(20)17-19;1-17-6-8-18(9-7-17)19-10-11-22-21(15-19)24-23-16-20-5-2-3-12-25(20)13-4-14-26(22)23;1-2-7-24-8-3-9-25-20-6-5-17(16-23-10-12-26-13-11-23)14-19(20)22-21(25)15-18(24)4-1/h1-2,6-7,9-10,16,23H,3-5,8,11-15,17-19H2;3*3,6-10,12,15,17,21H,1-2,4-5,11,13-14,16H2;6-11,15,20H,2-5,12-14,16H2,1H3;5-6,14,18H,1-4,7-13,15-16H2/t;2*21-;;;/m.10.../s1.
What are the key properties of 16-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3S)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3R)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-(4-methylphenyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;4-(8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraen-16-ylmethyl)morpholine?
16-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3S)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3R)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-(4-methylphenyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;4-(8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraen-16-ylmethyl)morpholine has a molecular weight of 2212.06 g/mol, XLogP of 26.15, 8 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3S)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;(3R)-16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-indolizin-6-yl-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;16-(4-methylphenyl)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene;4-(8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraen-16-ylmethyl)morpholine is sourced from PubChem (CID 161062246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).