69672230 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 8 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 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 5 5 6 6 6 7 8 9 9 10 11 11 12 13 13 14 14 15 15 16 16 17 18 18 19 20 20 21 21 22 23 24 25 25 25 26 26 26 27 27 27 19 26 22 27 7 10 8 10 12 21 7 8 11 9 13 14 15 12 16 28 18 17 29 19 30 20 31 17 32 33 22 34 23 23 35 24 25 24 36 37 38 39 40 41 42 43 44 45 46 1 1 1 1 2 1 1 2 2 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 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 6.3981 8.9962 5.5321 4.666 6.3981 3.8 4.666 3.8 4.666 5.5321 2.9061 6.3981 2.9061 5.5321 3.8 2 2 7.2641 5.5321 3.8 7.2641 8.1301 4.666 8.1301 7.2641 6.3981 9.8622 2.9132 2.9132 6.069 3.2631 1.4643 1.4643 7.2641 3.2631 4.666 8.6671 7.8841 7.2641 6.6441 5.7781 6.3981 7.0181 10.1722 10.3991 9.5522 -3.25 1.25 0.25 1.75 2.75 0.25 -0.25 1.25 -1.25 1.25 -0.2847 1.75 1.7847 -1.75 -1.75 0.2292 1.2708 1.25 -2.75 -2.75 3.25 1.75 -3.25 2.75 4.25 -4.25 1.75 -0.9046 2.4046 -1.44 -1.44 -0.0829 1.5829 0.63 -3.06 -3.87 3.06 4.25 4.87 4.25 -4.25 -4.87 -4.25 1.2131 2.06 2.2869 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 5 6 6 6 8 9 9 11 12 13 14 15 16 18 19 20 21 22 7 10 8 10 12 21 7 8 11 13 14 15 16 18 17 19 20 17 22 23 23 24 24 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 477 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 0 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 00000371E07B30000000000000000000000000000000000000003C7881000000000000B1FC00001E00000000000C0C819F0233D6F6081400A003266264008288292122A0099820366C988C6EE2C4F9DB9434286EC01BC8E827B0C0F00E00000100000200000000020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(4-methoxy-6-methyl-2-pyridyl)-4-(3-methoxyphenyl)quinazoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(4-methoxy-6-methyl-2-pyridinyl)-4-(3-methoxyphenyl)quinazoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(4-methoxy-6-methylpyridin-2-yl)-4-(3-methoxyphenyl)quinazoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(4-methoxy-6-methylpyridin-2-yl)-4-(3-methoxyphenyl)quinazoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(4-methoxy-6-methyl-pyridin-2-yl)-4-(3-methoxyphenyl)quinazoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(4-methoxy-6-methyl-2-pyridyl)-4-(3-methoxyphenyl)quinazoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H19N3O2/c1-14-11-17(27-3)13-20(23-14)22-24-19-10-5-4-9-18(19)21(25-22)15-7-6-8-16(12-15)26-2/h4-13H,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 CLPZZZSQBQQERR-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 357.147726857 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H19N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 357.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=CC(=N1)C2=NC3=CC=CC=C3C(=N2)C4=CC(=CC=C4)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=CC(=N1)C2=NC3=CC=CC=C3C(=N2)C4=CC(=CC=C4)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 57.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 357.147726857 27 0 0 0 0 0 0 0 1 -1