66903144 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 10 11 12 12 13 13 14 14 15 15 16 17 18 18 20 20 21 21 22 23 23 23 24 25 25 26 26 27 27 28 6 8 11 11 19 17 19 19 23 42 24 27 7 29 30 9 31 32 10 33 34 10 13 12 14 15 35 16 36 17 18 16 37 38 20 21 39 22 40 22 41 43 24 44 45 25 26 46 28 47 28 48 49 1 1 1 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 2 1 1 1 1 1 2 1 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 4.666 5.5321 4.666 6.3981 8.1301 3.8 3.8 5.5321 4.666 5.5321 4.666 6.4421 4.65 3.8 6.4501 5.548 3.8 2.9061 5.5321 2.9061 2 2 6.3981 7.2641 7.2641 8.1301 8.9962 8.9962 3.588 3.1894 3.1894 3.588 6.1426 5.7441 6.9754 4.1095 6.9882 5.5456 2.9132 2.9132 1.4643 6.935 1.4643 6.186 5.7875 6.7272 8.1301 9.5331 9.5331 -1.2154 0.2846 1.7846 1.7846 2.7846 -1.7154 -2.7154 -1.7154 -3.2154 -2.7154 -0.2154 -3.2222 -4.2569 0.2846 -4.2638 -4.7846 1.2846 -0.25 1.2846 1.8193 0.2638 1.3054 2.7846 3.2846 4.2846 4.7846 3.2846 4.2846 -1.1328 -1.823 -2.6077 -3.298 -1.823 -1.1328 -2.906 -4.5606 -4.5717 -5.4046 -0.87 2.4392 -0.0483 1.4746 1.6175 3.3672 2.677 4.5946 5.4046 2.9746 4.5946 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 5 5 9 9 10 11 12 13 14 14 15 17 18 20 21 24 25 26 27 11 19 17 19 24 27 10 13 12 14 15 16 17 18 16 20 21 22 22 25 26 28 28 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 499 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B80000000000000000000000000000000000000003C78B1020000000000B1FC00001C00100000000C08C11E043DF0F7C81000A003366764008280293102A009D8A03864988868E2C0D9D1942408688002C8C8271080800E80000000001200000000000000240000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-pyridylmethyl)quinazolin-2-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-pyridinylmethyl)-2-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(3,4-dihydro-1<I>H</I>-isoquinolin-2-yl)-<I>N</I>-(pyridin-2-ylmethyl)quinazolin-2-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-2-ylmethyl)quinazolin-2-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-2-ylmethyl)quinazolin-2-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-yl]-(2-pyridylmethyl)amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H21N5/c1-2-8-18-16-28(14-12-17(18)7-1)22-20-10-3-4-11-21(20)26-23(27-22)25-15-19-9-5-6-13-24-19/h1-11,13H,12,14-16H2,(H,25,26,27) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VXJIANTVRGJYTA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.17969569 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H21N5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CN(CC2=CC=CC=C21)C3=NC(=NC4=CC=CC=C43)NCC5=CC=CC=N5 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CN(CC2=CC=CC=C21)C3=NC(=NC4=CC=CC=C43)NCC5=CC=CC=N5 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 53.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.17969569 28 0 0 0 0 0 0 0 1 -1