71542895 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 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 1 1 2 2 2 3 3 4 4 5 5 5 6 6 6 6 7 7 8 8 8 9 9 10 11 12 12 13 13 14 14 15 16 17 19 19 20 20 21 21 22 23 23 23 24 24 24 25 25 25 15 25 7 10 11 11 18 17 18 18 23 24 7 8 26 27 28 29 9 30 31 10 12 13 14 15 32 16 33 17 19 16 34 20 21 35 22 36 22 37 38 39 40 41 42 43 44 45 46 47 1 1 1 1 1 2 1 1 2 1 1 1 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 2 1 1 1 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 45 46 47 8.1962 4.666 5.5321 4.666 6.3981 3.8 3.8 4.666 5.5321 5.5321 4.666 6.426 6.426 3.8 7.3321 7.3321 3.8 5.5321 2.9061 2.9061 2 2 6.3981 7.2641 8.1923 3.1894 3.588 3.588 3.1894 4.2675 5.0646 6.4188 6.4188 7.8678 2.9132 2.9132 1.4643 1.4643 7.0181 6.3981 5.7781 6.9541 7.801 7.5741 7.5723 8.1899 8.8123 -2.5121 -0.4879 1.0121 2.5121 2.5121 -1.9879 -0.9879 -2.4879 -1.9879 -0.9879 0.5121 -2.5226 -0.4533 1.0121 -2.0087 -0.9671 2.0121 2.0121 0.4774 2.5467 0.9913 2.0329 3.5121 2.0121 -3.5121 -1.8803 -2.5705 -0.4053 -1.0956 -2.9629 -2.9629 -3.1426 0.1667 -0.655 -0.1425 3.1667 0.6792 2.345 3.5121 4.1321 3.5121 1.4751 1.7021 2.549 -3.5097 -4.1321 -3.5145 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 9 9 10 11 12 13 14 14 15 17 19 20 21 11 18 17 18 10 12 13 14 15 16 17 19 16 20 21 22 22 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 445 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 00000371E07BA0000000000000000000000000000000000000003C7881000000000000B1F400001E00000000000C0CC19E0633F6F7081400A003266264008288292122A00998203E6C988C2EE2C4F9DB8434286CC013C8E827B0C0B00E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethyl-quinazolin-2-amine 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)-N,N-dimethyl-2-quinazolinamine 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)-<I>N</I>,<I>N</I>-dimethylquinazolin-2-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylquinazolin-2-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethyl-quinazolin-2-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazolin-2-yl]-dimethyl-amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H22N4O/c1-23(2)20-21-17-9-5-4-8-16(17)19(22-20)24-12-6-7-14-13-15(25-3)10-11-18(14)24/h4-5,8-11,13H,6-7,12H2,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NWCWAGJWXUABET-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.17936134 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H22N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)C1=NC2=CC=CC=C2C(=N1)N3CCCC4=C3C=CC(=C4)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)C1=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 41.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.17936134 25 0 0 0 0 0 0 0 1 -1