71180669 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 7 8 9 10 10 10 11 12 12 13 13 15 16 16 17 18 19 19 20 20 21 21 22 22 23 24 24 24 25 25 26 27 27 28 9 18 14 18 14 24 37 26 28 6 8 12 11 16 8 9 14 29 15 11 13 19 30 15 31 17 20 32 17 33 34 21 22 35 23 36 25 26 23 38 39 40 41 42 27 43 44 28 45 46 1 2 2 1 1 1 1 1 2 1 2 1 2 1 1 2 1 1 1 1 1 2 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 2 2 1 1 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 9.0622 9.9283 9.0622 12.5263 6.3962 5.5321 8.1962 7.3023 8.1962 3.8001 4.6642 6.3962 3.8039 9.0622 7.3023 5.536 4.6719 9.9283 2.9041 2.9121 10.7943 2 2.004 9.9283 10.7943 11.6603 11.6603 12.5263 7.3094 4.6618 5.8605 7.3094 6.0741 4.6743 2.9089 2.9216 8.5253 1.4631 1.4695 9.6183 10.4652 10.2383 10.2574 11.6603 11.6603 13.0633 1.0345 -0.4655 -1.9655 1.0345 -0.4864 -0.9897 -0.4655 -1.0002 0.5345 -0.9964 -0.493 0.5553 -1.9964 -0.9655 1.0691 -1.9897 -2.493 0.5345 -0.4652 -2.5345 1.0345 -0.9825 -2.0241 -2.4655 2.0345 0.5345 2.5345 2.0345 -1.6202 0.127 0.8673 1.6891 -2.2976 -3.113 0.1548 -3.1544 -2.2755 -0.6725 -2.3382 -3.0025 -2.7755 -1.9286 2.3445 -0.0855 3.1545 2.3445 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 7 9 10 10 10 12 13 13 16 19 20 21 21 22 25 27 9 18 14 18 26 28 8 12 11 16 8 9 14 15 11 13 19 15 17 20 17 22 23 25 26 23 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 00000371E07B80000000000000000000000000000000000000003C78C1020000000000F1FC00001C00100000000C08C11F043FF0F6C81000A003366764008280293102A009D8A03864988828E2C0D9D1842408688002C8C8271080C00EC8000200001200009000040000240000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-methyl-6-(2-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-(2-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-2-yl-2-pyridin-3-ylquinazolin-4-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-methyl-6-naphthalen-2-yl-2-pyridin-3-ylquinazolin-4-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-methyl-6-naphthalen-2-yl-2-pyridin-3-yl-quinazolin-4-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl-[6-(2-naphthyl)-2-(3-pyridyl)quinazolin-4-yl]amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C24H18N4/c1-25-24-21-14-19(18-9-8-16-5-2-3-6-17(16)13-18)10-11-22(21)27-23(28-24)20-7-4-12-26-15-20/h2-15H,1H3,(H,25,27,28) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SZHXZUZNIWDWQX-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=CC4=CC=CC=C4C=C3)C5=CN=CC=C5 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CNC1=NC(=NC2=C1C=C(C=C2)C3=CC4=CC=CC=C4C=C3)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