69672394 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 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 5 6 7 8 8 9 10 11 11 12 12 13 13 14 14 15 15 16 16 16 17 17 18 19 19 20 21 21 22 22 23 24 25 25 25 26 26 26 20 26 6 9 7 9 10 14 6 7 11 8 12 13 15 10 19 17 27 18 28 20 29 16 21 22 30 25 31 32 18 33 34 23 35 24 23 36 24 37 38 39 40 41 42 43 44 45 1 1 2 1 1 2 1 2 1 1 2 1 2 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 2 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 6.3981 5.5321 4.666 7.2641 3.8 4.666 3.8 4.666 5.5321 6.3981 2.9061 2.9061 5.5321 8.1301 3.8 8.9962 2 2 6.3981 5.5321 8.1301 3.8 7.2641 4.666 9.8622 6.3981 2.9132 2.9132 6.069 3.2631 8.5976 9.3947 1.4643 1.4643 5.8612 8.6671 3.2631 7.2641 4.666 10.1722 10.3991 9.5522 5.7781 6.3981 7.0181 -2.75 0.75 2.25 1.75 0.75 0.25 1.75 -0.75 1.75 2.25 0.2153 2.2847 -1.25 2.25 -1.25 1.75 0.7292 1.7708 3.25 -2.25 3.25 -2.25 3.75 -2.75 2.25 -3.75 -0.4046 2.9046 -0.94 -0.94 1.275 1.275 0.4171 2.0829 3.56 3.56 -2.56 4.37 -3.37 1.7131 2.56 2.7869 -3.75 -4.37 -3.75 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 4 4 5 5 5 7 8 8 10 11 12 13 14 15 17 19 20 21 22 6 9 7 9 10 14 6 7 11 12 13 15 19 17 18 20 21 22 18 23 24 23 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 445 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 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 00000371E07B20000000000000000000000000000000000000003C7881000000000000B1FC00001E00000000000C0C819F0233D6F6081400A003266264008288292122A0099820366C988C6EE2C4F9DB9434286CC013C8E827B0C0F00E00000100000200000000020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(6-ethyl-2-pyridyl)-4-(3-methoxyphenyl)quinazoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(6-ethyl-2-pyridinyl)-4-(3-methoxyphenyl)quinazoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(6-ethylpyridin-2-yl)-4-(3-methoxyphenyl)quinazoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(6-ethylpyridin-2-yl)-4-(3-methoxyphenyl)quinazoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(6-ethylpyridin-2-yl)-4-(3-methoxyphenyl)quinazoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(6-ethyl-2-pyridyl)-4-(3-methoxyphenyl)quinazoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H19N3O/c1-3-16-9-7-13-20(23-16)22-24-19-12-5-4-11-18(19)21(25-22)15-8-6-10-17(14-15)26-2/h4-14H,3H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QHZTUMMETSNLCI-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 341.152812238 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H19N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 341.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1=NC(=CC=C1)C2=NC3=CC=CC=C3C(=N2)C4=CC(=CC=C4)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1=NC(=CC=C1)C2=NC3=CC=CC=C3C(=N2)C4=CC(=CC=C4)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 47.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 341.152812238 26 0 0 0 0 0 0 0 1 -1