71542891 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 8 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 2 2 2 3 3 4 4 5 5 5 5 6 6 7 7 7 8 8 9 10 11 11 12 12 13 13 14 15 16 17 17 18 19 19 20 20 21 22 22 22 23 23 23 14 23 6 9 10 10 18 16 18 6 7 24 25 26 27 8 28 29 9 11 12 13 14 30 15 31 16 17 15 32 19 20 33 22 21 34 21 35 36 37 38 39 40 41 42 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 2 1 1 2 1 1 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 2 5.5301 4.6641 5.5301 6.3961 6.3961 5.5301 4.6641 4.6641 5.5301 3.7702 3.7702 6.3961 2.8641 2.8641 6.3961 7.2901 4.6641 7.2901 8.1962 8.1962 3.7981 2.0038 7.0067 6.6082 6.6082 7.0067 5.9286 5.1316 3.7773 3.7773 2.3284 7.2829 7.2829 8.7319 8.7319 3.4881 3.2611 4.1081 2.6238 2.0062 1.3839 2.0294 0.0053 -1.4947 -2.9947 1.5053 0.5053 2.0053 1.5053 0.5053 -0.9947 2.0399 -0.0294 -1.4947 1.5261 0.4844 -2.4947 -0.9601 -2.4947 -3.0294 -1.4739 -2.5156 -2.9947 3.0294 1.3976 2.0879 -0.0774 0.6129 2.4802 2.4802 2.6599 -0.6494 0.1724 -0.3401 -3.6494 -1.1619 -2.8276 -2.4578 -3.3047 -3.5317 3.027 3.6494 3.0318 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 8 8 9 10 11 12 13 13 14 16 17 19 20 10 18 16 18 9 11 12 13 14 15 16 17 15 19 20 21 21 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 404 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B20000000000000000000000000000000000000003C7881000000000000B1F400001E00000000000C0CC19F0633F6F7081400A003266264008288292122A00998203E6C988C2EE2C4F9DB8434286CC013C8E827B0C0B00E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-quinazoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-methoxy-3,4-dihydro-2<I>H</I>-quinolin-1-yl)-2-methylquinazoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-quinazoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-quinazoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H19N3O/c1-13-20-17-8-4-3-7-16(17)19(21-13)22-11-5-6-14-12-15(23-2)9-10-18(14)22/h3-4,7-10,12H,5-6,11H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SDVCOWGIPMODEC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.152812238 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H19N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=NC2=CC=CC=C2C(=N1)N3CCCC4=C3C=CC(=C4)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=NC2=CC=CC=C2C(=N1)N3CCCC4=C3C=CC(=C4)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 38.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.152812238 23 0 0 0 0 0 0 0 1 -1