3234633 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 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 1 1 2 2 2 3 3 3 4 4 5 5 6 6 6 7 7 7 8 8 9 9 10 11 11 12 13 14 14 15 15 16 16 17 17 18 19 19 20 20 21 22 22 23 24 24 24 21 24 6 7 10 8 9 33 10 13 12 13 8 25 26 9 27 28 29 30 31 32 11 12 14 15 16 17 34 18 35 19 20 18 36 37 21 38 22 39 23 23 40 41 42 43 44 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 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 8.9962 4.666 4.666 5.5321 4.666 3.8 5.5321 3.8 5.5321 4.666 3.8 3.8 5.5321 2.9061 2.9061 6.3981 2 2 7.2641 6.3981 8.1301 7.2641 8.1301 9.8622 3.588 3.1894 6.1426 5.7441 3.1894 3.588 5.7441 6.1426 4.666 2.9132 2.9132 1.4643 1.4643 7.2641 5.8612 7.2641 8.6671 10.1722 10.3991 9.5522 1.56 -0.94 -2.94 0.56 2.06 -1.44 -1.44 -2.44 -2.44 0.06 0.56 1.56 1.56 0.0253 2.0947 2.06 0.5392 1.5808 1.56 3.06 2.06 3.56 3.06 2.06 -0.8574 -1.5477 -1.5477 -0.8574 -2.3323 -3.0226 -3.0226 -2.3323 -3.56 -0.5946 2.7146 0.2271 1.8929 0.94 3.37 4.18 3.37 1.5231 2.37 2.5969 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 10 11 11 12 14 15 16 16 17 19 20 21 22 10 13 12 13 11 12 14 15 17 18 19 20 18 21 22 23 23 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 401 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BA0000000000000000000000000000000000000003C7881000000000000B1F400001E00100000000C0CC19F0633F6F7C81400A003266264008288292122A00998A03E6C988C6EA2C4F9DB9434286CD013C8E827B0C0100E00000100000200000000020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-methoxyphenyl)-4-piperazin-1-yl-quinazoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-methoxyphenyl)-4-(1-piperazinyl)quinazoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-methoxyphenyl)-4-piperazin-1-ylquinazoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-methoxyphenyl)-4-piperazin-1-ylquinazoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-methoxyphenyl)-4-piperazin-1-yl-quinazoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-methoxyphenyl)-4-piperazino-quinazoline InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H20N4O/c1-24-15-6-4-5-14(13-15)18-21-17-8-3-2-7-16(17)19(22-18)23-11-9-20-10-12-23/h2-8,13,20H,9-12H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CKXCKYOFERQQHZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.16371127 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H20N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)N4CCNCC4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)N4CCNCC4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 50.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.16371127 24 0 0 0 0 0 0 0 1 -1