67602789 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 47 48 17 8 8 7 7 7 7 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 1 2 2 3 3 4 4 4 5 5 5 6 6 7 7 8 8 8 9 9 10 10 10 11 11 12 12 13 14 14 15 15 16 16 17 18 18 19 20 20 21 21 22 23 24 26 26 26 27 27 27 19 22 26 25 27 8 10 13 9 11 35 13 24 17 24 9 12 28 29 30 11 31 32 33 34 15 16 14 17 18 19 36 20 37 21 22 38 23 23 39 25 40 25 41 42 43 44 45 46 47 48 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 8 4 9 12 28 3 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 47 48 8.9733 2.866 2.866 6.3465 6.3233 7.2641 6.358 7.2067 7.1951 5.4747 5.4632 8.0784 6.358 5.4641 8.09 8.9386 5.4641 4.5981 8.9617 9.8104 4.5981 3.732 9.8219 7.2641 3.732 2 2.866 7.74 7.4004 7.8069 5.2694 4.863 4.8539 5.2444 6.3162 7.5567 8.9314 4.5981 10.3437 4.5981 10.3624 7.7998 2.31 1.4631 1.69 3.486 2.866 2.246 1.7624 0.3272 2.3272 -0.7074 -2.7072 0.8064 2.3619 -1.2174 -2.2173 -1.1973 -2.1973 -0.7274 0.2925 0.8272 0.2725 -1.2374 1.8272 0.3272 0.7625 -0.7474 2.3272 0.8272 0.2525 1.848 1.8272 0.8272 3.3272 -1.5336 -2.8023 -2.1167 -0.6123 -1.2979 -2.0826 -2.7774 -3.3272 0.5887 -1.8574 -0.2928 -1.0636 2.9472 0.5563 2.1601 1.3642 1.1372 0.2903 3.3272 3.9472 3.3272 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 12 12 13 14 14 15 16 17 18 19 20 21 22 13 24 17 24 12 15 16 14 17 18 19 20 21 22 23 23 25 25 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 485 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 00000371E07BB0000400000000000000000000000000000000003C7881000000000000B1F400001E02100000000C2EC19E2637F6F7C81400A003266364008288293127A009D8A03EEE988D6EA2C5FBDB94342A6ED01BCAE827B0D0930E20400122000240004080024400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[2-(3-chlorophenyl)piperazin-1-yl]-6,7-dimethoxy-quinazoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[2-(3-chlorophenyl)-1-piperazinyl]-6,7-dimethoxyquinazoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[2-(3-chlorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[2-(3-chlorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[2-(3-chlorophenyl)piperazin-1-yl]-6,7-dimethoxy-quinazoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[2-(3-chlorophenyl)piperazino]-6,7-dimethoxy-quinazoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H21ClN4O2/c1-26-18-9-15-16(10-19(18)27-2)23-12-24-20(15)25-7-6-22-11-17(25)13-4-3-5-14(21)8-13/h3-5,8-10,12,17,22H,6-7,11H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GOAAGEQDYKNQHW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 384.1353036 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H21ClN4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 384.9 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C(=NC=N2)N3CCNCC3C4=CC(=CC=C4)Cl)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C(=NC=N2)N3CCNCC3C4=CC(=CC=C4)Cl)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 59.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 384.1353036 27 1 0 1 0 0 0 0 1 -1