21002801 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 12 13 13 14 14 15 16 16 17 17 18 18 19 19 20 21 22 23 24 24 24 20 24 6 7 10 8 9 11 10 21 15 21 8 25 26 9 27 28 29 30 31 32 12 13 14 15 16 17 33 18 34 19 20 35 22 36 22 37 23 38 23 39 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 2 1 2 1 1 1 2 1 1 2 1 2 1 1 1 2 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 2.868 6.3981 6.3981 7.2641 6.3981 5.532 7.2641 5.532 7.2641 6.3981 6.3981 5.532 5.532 7.2641 5.532 4.6381 5.532 7.2641 4.6381 3.732 7.2641 6.3981 3.732 2 5.32 4.9215 7.8747 7.4762 4.9215 5.32 7.4762 7.8747 4.9951 7.801 4.6453 4.9951 7.801 4.6453 7.801 6.3981 3.1963 2.3079 1.4619 1.6921 1.9585 0.9827 -1.0173 2.4827 3.9827 0.4827 0.4827 -0.5173 -0.5173 1.9827 -2.0173 2.4827 -2.5173 -2.5173 3.4827 1.948 -3.5173 -3.5173 4.0173 2.4618 3.4827 -4.0173 3.5035 2.4552 1.0653 0.375 0.375 1.0653 -0.4097 -1.0999 -1.0999 -0.4097 -2.2073 -2.2073 1.328 -3.8273 -3.8273 4.6373 3.7927 -4.6373 3.8156 2.9933 2.7631 1.917 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 12 13 14 15 16 17 18 19 20 10 21 15 21 12 13 14 15 16 17 18 19 20 22 22 23 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 393 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 00000371E07BA0000000000000000000000000000000000000003C7881000000000000B1F400001E00000000000C0CC19E0637F6F7081400A003266364008288293122A009D8203E6C988C6EA2C4F9DB9434286CC013C8E827B0C0100E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-4-(4-phenylpiperazin-1-yl)quinazoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-4-(4-phenyl-1-piperazinyl)quinazoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-4-(4-phenylpiperazin-1-yl)quinazoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-4-(4-phenylpiperazin-1-yl)quinazoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-4-(4-phenylpiperazin-1-yl)quinazoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-4-(4-phenylpiperazino)quinazoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H20N4O/c1-24-16-7-8-18-17(13-16)19(21-14-20-18)23-11-9-22(10-12-23)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GKNAFLIYOMDFHK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.6 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 2019.06.18 C19H20N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)C4=CC=CC=C4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)C4=CC=CC=C4 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 2021.05.07 320.16371127 24 0 0 0 0 0 0 0 1 -1