68649034 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 8 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 2 2 2 3 3 4 4 5 6 6 7 7 8 9 10 10 10 11 11 12 12 13 14 14 15 15 16 16 17 17 18 19 20 20 20 21 21 21 22 22 22 9 21 5 7 10 5 13 8 13 6 8 11 9 12 14 15 23 24 25 16 26 17 27 20 18 28 19 29 18 30 19 31 32 33 34 35 36 22 37 38 39 40 41 1 1 1 1 1 2 1 1 2 1 1 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 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 4.666 4.666 5.5321 4.666 4.666 3.8 5.5321 3.8 5.5321 3.8 2.9061 6.3981 5.5321 2.9061 6.3981 2 7.2641 2 7.2641 6.3981 4.666 3.8 3.49 3.2631 4.11 2.9132 6.3981 2.9132 6.3981 1.4643 7.801 1.4643 7.801 6.7081 6.935 6.0881 4.8781 5.2766 3.49 3.2631 4.11 -1.7673 0.2327 1.7327 3.2327 1.2327 1.7327 -0.2673 2.7327 -1.2673 -0.2673 1.198 0.2327 2.7327 3.2673 -1.7673 1.7118 -0.2673 2.7535 -1.2673 3.2327 -2.7673 -3.2673 0.2696 -0.5773 -0.8043 0.578 0.8527 3.8873 -2.3873 1.3998 0.0427 3.0656 -1.5773 2.6957 3.5427 3.7696 -3.3499 -2.6597 -2.7304 -3.5773 -3.8043 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 6 6 7 7 8 9 11 12 14 15 16 17 5 13 8 13 6 8 11 9 12 14 15 16 17 18 19 18 19 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 351 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B20000000000000000000000000000000000000003C6080000000000000B1F400001E00000000000C0CA19F0633F6F7081400A003266264008288292122A00998203F6C988E2EE2C4F9DB873C28ECC013D8E82790C0000E00000000000210000000000000042000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-ethoxyphenyl)-N,2-dimethyl-quinazolin-4-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-ethoxyphenyl)-N,2-dimethyl-4-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(2-ethoxyphenyl)-<I>N</I>,2-dimethylquinazolin-4-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-ethoxyphenyl)-N,2-dimethylquinazolin-4-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-ethoxyphenyl)-N,2-dimethyl-quinazolin-4-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl-(2-methylquinazolin-4-yl)-o-phenetyl-amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H19N3O/c1-4-22-17-12-8-7-11-16(17)21(3)18-14-9-5-6-10-15(14)19-13(2)20-18/h5-12H,4H2,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OVVOVNOPXSOGDH-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 2021.05.07 293.152812238 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H19N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 293.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=CC=C1N(C)C2=NC(=NC3=CC=CC=C32)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=CC=C1N(C)C2=NC(=NC3=CC=CC=C32)C 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 2021.05.07 293.152812238 22 0 0 0 0 0 0 0 1 -1