71180762 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 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 2 2 3 3 3 4 4 5 5 5 6 6 7 7 8 8 8 9 10 11 11 12 12 14 14 15 16 16 17 17 18 19 19 20 21 21 22 23 23 24 24 24 25 25 26 27 27 28 10 20 13 20 13 24 39 26 28 6 7 14 9 12 11 16 9 10 13 29 15 17 19 15 30 18 31 32 21 33 18 34 35 22 36 23 22 37 38 25 26 40 41 42 27 43 44 28 45 46 1 2 2 1 1 1 1 1 2 1 1 2 2 1 1 2 1 2 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 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 8.1862 9.0522 8.1862 10.7842 4.656 5.5201 3.7881 7.3201 6.4262 7.3201 2.924 5.5201 8.1862 4.6599 6.4262 3.8001 2.9278 3.7958 2.012 9.0522 2.9001 2 9.9182 9.0522 10.7842 9.9182 11.6503 11.6503 6.4334 4.9844 5.198 6.4334 4.3394 2.3921 3.7982 1.48 2.9001 1.4607 7.6492 8.7422 9.5891 9.3622 10.7842 9.3813 12.1872 12.1872 1.0137 -0.4863 -1.9863 2.5137 -1.0104 -0.5071 -0.5138 -0.4863 -1.0209 0.5137 -1.0171 0.5346 -0.9863 -2.0104 1.0484 0.5278 -2.0171 -2.5137 -0.5138 0.5137 1.0521 0.5278 1.0137 -2.4863 0.5137 2.0137 1.0137 2.0137 -1.6409 0.8466 -2.3183 1.6684 0.8337 -2.3292 -3.1337 -0.832 1.6721 0.8337 -2.2963 -3.0232 -2.7963 -1.9493 -0.1063 2.3237 0.7037 2.3237 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 4 4 5 5 6 6 7 7 8 8 8 10 11 11 12 14 16 17 19 21 23 23 25 27 10 20 13 20 26 28 7 14 9 12 11 16 9 10 13 15 17 19 15 18 21 18 22 22 25 26 27 28 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 511 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B80000000000000000000000000000000000000003C78C1020000000000F1FC00001C00100000000C08C11F043FF0F6C81000A003366764008280293102A009D8A03864988828E2C0D9D1842408688002C8C8271080C00E88000200001200001000040000240000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-methyl-6-(1-naphthyl)-2-(3-pyridyl)quinazolin-4-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-methyl-6-(1-naphthalenyl)-2-(3-pyridinyl)-4-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-methyl-6-naphthalen-1-yl-2-pyridin-3-ylquinazolin-4-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-methyl-6-naphthalen-1-yl-2-pyridin-3-ylquinazolin-4-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-methyl-6-naphthalen-1-yl-2-pyridin-3-yl-quinazolin-4-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl-[6-(1-naphthyl)-2-(3-pyridyl)quinazolin-4-yl]amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C24H18N4/c1-25-24-21-14-17(20-10-4-7-16-6-2-3-9-19(16)20)11-12-22(21)27-23(28-24)18-8-5-13-26-15-18/h2-15H,1H3,(H,25,27,28) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XCWBWYPTILMMBB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 362.153146591 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C24H18N4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 362.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CNC1=NC(=NC2=C1C=C(C=C2)C3=CC=CC4=CC=CC=C43)C5=CN=CC=C5 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CNC1=NC(=NC2=C1C=C(C=C2)C3=CC=CC4=CC=CC=C43)C5=CN=CC=C5 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 50.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 362.153146591 28 0 0 0 0 0 0 0 1 -1