59213047 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 17 8 8 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 3 3 4 4 5 5 5 6 6 7 7 8 8 8 10 11 11 12 13 13 14 16 16 17 17 17 18 18 18 19 20 20 21 21 22 23 24 24 24 25 25 25 26 26 26 22 14 24 15 25 19 26 9 17 18 9 12 10 12 9 10 11 13 14 27 16 15 28 15 19 20 29 30 31 32 33 34 21 22 35 23 36 23 37 38 39 40 41 42 43 44 45 46 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 2 1 1 1 1 1 2 2 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 42 43 44 45 46 8.9962 2.868 2.868 8.9962 6.3981 7.2641 6.3981 5.532 6.3981 5.532 4.6381 7.2641 4.6381 3.732 3.732 8.1301 7.2641 5.532 8.9962 8.1301 9.8622 8.9962 9.8622 2 2.8718 9.8622 4.6453 4.6453 6.9541 7.801 7.5741 5.222 4.9951 5.8421 7.5932 10.3991 10.3991 2.3079 1.4619 1.6921 3.4918 2.8742 2.2518 9.5522 10.3991 10.1722 3 -1.5241 0.5242 -1 -2.5 -1 0.5 -1 -1.5 -0 -1.5347 0 0.5347 -1.0208 0.0208 0.5 -3 -3 0 1.5 0.5 2 1.5 -1.0275 1.5241 -1.5 -2.1546 1.1546 -3.5369 -3.31 -2.4631 -2.4631 -3.31 -3.5369 1.81 0.19 1.81 -0.4894 -0.7196 -1.5656 1.5218 2.1441 1.5265 -2.0369 -1.81 -0.9631 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 8 8 10 11 13 14 16 16 19 20 21 22 9 12 10 12 9 10 11 13 14 15 15 19 20 21 22 23 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 456 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 0 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 00000371E07B30000400000000000000000000000000000000003C6080000000000000B1F400001E02000000000C0E819F2633F6F7081400A003266264008288292127A00998203EEE988D2EA2C5FBDB84342A6EC01BCAE827B0D0330E20600122000A400040C0024400148000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(5-chloro-2-methoxy-phenyl)-6,7-dimethoxy-N,N-dimethyl-quinazolin-4-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(5-chloro-2-methoxyphenyl)-6,7-dimethoxy-N,N-dimethyl-4-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(5-chloro-2-methoxyphenyl)-6,7-dimethoxy-<I>N</I>,<I>N</I>-dimethylquinazolin-4-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(5-chloro-2-methoxyphenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(5-chloranyl-2-methoxy-phenyl)-6,7-dimethoxy-N,N-dimethyl-quinazolin-4-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(5-chloro-2-methoxy-phenyl)-6,7-dimethoxy-quinazolin-4-yl]-dimethyl-amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H20ClN3O3/c1-23(2)19-12-9-16(25-4)17(26-5)10-14(12)21-18(22-19)13-8-11(20)6-7-15(13)24-3/h6-10H,1-5H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PXIZWZRUBZPZBB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.1193192 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H20ClN3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.8 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)C1=NC(=NC2=CC(=C(C=C21)OC)OC)C3=C(C=CC(=C3)Cl)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)C1=NC(=NC2=CC(=C(C=C21)OC)OC)C3=C(C=CC(=C3)Cl)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 56.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.1193192 26 0 0 0 0 0 0 0 1 -1