66904714 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 50 51 52 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 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 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 19 19 20 20 21 21 21 22 22 23 24 24 24 25 26 26 27 27 28 28 29 6 8 11 11 18 17 18 18 21 42 25 28 7 30 31 9 32 33 10 34 35 10 13 12 14 15 36 16 37 17 19 16 38 39 20 22 40 23 41 24 43 44 23 45 48 25 46 47 26 27 49 29 50 29 51 52 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 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 50 51 52 4.666 5.5321 4.666 6.3981 6.3981 3.8 3.8 5.5321 4.666 5.5321 4.666 6.4421 4.65 3.8 6.4501 5.548 3.8 5.5321 2.9061 2.9061 6.3981 2 2 7.2641 7.2641 8.1301 8.1301 6.3981 7.2641 3.588 3.1894 3.1894 3.588 6.1426 5.7441 6.9754 4.1095 6.9882 5.5456 2.9132 2.9132 6.935 6.186 5.7875 1.4643 7.4762 7.8747 1.4643 8.6671 8.6671 5.8612 7.2641 -1.9654 -0.4654 1.0346 1.0346 4.0346 -2.4654 -3.4654 -2.4654 -3.9654 -3.4654 -0.9654 -3.9722 -5.0069 -0.4654 -5.0138 -5.5346 0.5346 0.5346 -1 1.0693 2.0346 -0.4862 0.5554 2.5346 3.5346 4.0346 5.0346 5.0346 5.5346 -1.8828 -2.573 -3.3577 -4.048 -2.573 -1.8828 -3.656 -5.3106 -5.3217 -6.1546 -1.62 1.6892 0.7246 2.6172 1.927 -0.7983 1.952 2.6423 0.8675 3.7246 5.3446 5.3446 6.1546 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 19 20 22 25 26 27 28 11 18 17 18 25 28 10 13 12 14 15 16 17 19 16 20 22 23 23 26 27 29 29 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 514 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B80000000000000000000000000000000000000003C78B1020000000000B1FC00001C00100000000C08C11E043DF0F7C81000A003366764008280293102A009D8A03864988828E2C0D9D1842408689002C8C8271080800E80000000001200000000000000240000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(2-pyridyl)ethyl]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-(2-pyridinyl)ethyl]-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>-(2-pyridin-2-ylethyl)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-(2-pyridin-2-ylethyl)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-(2-pyridin-2-ylethyl)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-(2-pyridyl)ethyl]amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C24H23N5/c1-2-8-19-17-29(16-13-18(19)7-1)23-21-10-3-4-11-22(21)27-24(28-23)26-15-12-20-9-5-6-14-25-20/h1-11,14H,12-13,15-17H2,(H,26,27,28) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YKDIPEQSECSSIC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.19534575 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C24H23N5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CN(CC2=CC=CC=C21)C3=NC(=NC4=CC=CC=C43)NCCC5=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)NCCC5=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 2021.05.07 381.19534575 29 0 0 0 0 0 0 0 1 -1