22692817 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 17 8 7 7 7 7 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 4 5 5 6 6 7 7 7 8 8 8 9 9 10 10 11 11 12 13 13 14 15 15 16 17 17 18 18 19 19 20 22 22 23 23 24 25 25 25 21 14 25 7 8 11 9 10 12 12 21 16 21 9 26 27 10 28 29 30 31 32 33 14 15 13 16 17 18 19 34 22 23 35 20 36 20 37 38 24 39 24 40 41 42 43 44 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 2 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 6.3981 2.934 4.666 4.666 5.5321 4.666 3.8 5.5321 3.8 5.5321 4.666 4.666 3.8 3.8 5.5321 3.8 2.9061 3.8 5.5321 4.666 5.5321 2.9061 2 2 2.068 3.1894 3.588 5.7441 6.1426 3.588 3.1894 6.1426 5.7441 6.069 2.9132 3.2631 6.069 4.666 2.9132 1.4643 1.4643 1.758 1.531 2.378 3.9827 -2.0173 -1.0173 0.9827 2.4827 3.9827 -0.5173 -0.5173 0.4827 0.4827 -2.0173 1.9827 2.4827 -2.5173 -2.5173 3.4827 1.948 -3.5173 -3.5173 -4.0173 3.4827 4.0173 2.4618 3.5035 -2.5173 -0.4097 -1.0999 -1.0999 -0.4097 1.0653 0.375 0.375 1.0653 -2.2073 1.328 -3.8273 -3.8273 -4.6373 4.6373 2.1498 3.8156 -1.9804 -2.8273 -3.0543 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 11 11 12 13 13 14 15 16 17 18 19 22 23 12 21 16 21 14 15 13 16 17 18 19 22 23 20 20 24 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 432 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BA0000400000000000000000000000000000000003C7881000000000000B1F400001E02000000000C0CC19E0633F6F7081400A003266264008288292122A00998203F6C988E6EA2C4F9DB9534286CC013D8E82790C0000E00000000000210000000000000042000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-chloro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-chloro-4-[4-(2-methoxyphenyl)-1-piperazinyl]quinazoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-chloro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-chloro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-chloranyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-chloro-4-[4-(2-methoxyphenyl)piperazino]quinazoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H19ClN4O/c1-25-17-9-5-4-8-16(17)23-10-12-24(13-11-23)18-14-6-2-3-7-15(14)21-19(20)22-18/h2-9H,10-13H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 TZBYOGJTIULPPS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 354.1247389 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H19ClN4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 354.8 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 41.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 354.1247389 25 0 0 0 0 0 0 0 1 -1