69773945 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 8 7 7 7 7 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 9 10 11 11 12 12 14 14 15 16 16 17 18 18 19 20 20 20 21 21 21 22 22 22 23 23 23 15 23 6 13 10 13 9 21 29 13 20 31 7 8 9 11 10 12 14 16 15 24 18 25 17 26 17 19 27 28 19 30 32 22 33 34 35 36 37 38 39 40 41 42 43 1 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 2 2 1 1 1 2 1 1 1 1 1 2 1 1 1 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 2.934 5.5321 4.666 6.3981 6.3981 4.666 4.666 3.8 5.5321 3.8 3.8 2.9061 5.5321 5.5321 3.8 2.9061 4.666 2 2 6.3981 7.2641 7.2641 2.934 3.2631 2.9132 6.069 2.9132 4.666 6.3981 1.4643 6.935 1.4643 6.186 5.7875 6.9541 7.801 7.5741 7.5741 7.801 6.9541 2.314 2.934 3.554 -2.75 0.75 2.25 -0.75 2.25 0.25 -0.75 0.75 -1.25 1.75 -1.25 0.2153 1.75 -2.25 -2.25 2.2847 -2.75 0.7292 1.7708 3.25 -1.25 3.75 -3.75 -0.94 -0.4046 -2.56 2.9046 -3.37 -0.13 0.4171 1.94 2.0829 3.8326 3.1423 -1.7869 -1.56 -0.7131 3.2131 4.06 4.2869 -3.75 -4.37 -3.75 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 6 7 7 8 8 9 10 11 12 14 15 16 18 6 13 10 13 8 9 11 10 12 14 16 15 18 17 17 19 19 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 367 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BA0000000000000000000000000000000000000003C6080000000000000B1F400001E00100000000C0CC19E0633D6F6C81400A003246264008288292122A00998A03E6C988C2EA2C4F9DB8434286CD01348E827B0C0F00E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-ethyl-4-[5-methoxy-2-(methylamino)phenyl]quinazolin-2-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-ethyl-4-[5-methoxy-2-(methylamino)phenyl]-2-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-ethyl-4-[5-methoxy-2-(methylamino)phenyl]quinazolin-2-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-ethyl-4-[5-methoxy-2-(methylamino)phenyl]quinazolin-2-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-ethyl-4-[5-methoxy-2-(methylamino)phenyl]quinazolin-2-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 ethyl-[4-[5-methoxy-2-(methylamino)phenyl]quinazolin-2-yl]amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H20N4O/c1-4-20-18-21-16-8-6-5-7-13(16)17(22-18)14-11-12(23-3)9-10-15(14)19-2/h5-11,19H,4H2,1-3H3,(H,20,21,22) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VBLRAIQUAYTPON-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.16371127 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H20N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCNC1=NC2=CC=CC=C2C(=N1)C3=C(C=CC(=C3)OC)NC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCNC1=NC2=CC=CC=C2C(=N1)C3=C(C=CC(=C3)OC)NC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 59.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.16371127 23 0 0 0 0 0 0 0 1 -1