56460430 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 17 8 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 2 2 3 3 4 4 4 5 5 6 6 7 7 7 8 8 8 9 9 9 10 12 12 14 14 15 15 16 16 16 17 19 20 20 21 21 22 22 23 24 24 24 25 25 25 19 17 24 18 25 8 11 16 10 11 11 13 13 36 37 12 26 27 10 13 14 15 19 20 17 28 18 29 30 31 32 18 21 22 33 23 34 23 35 38 39 40 41 42 43 44 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 2 2 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 43 44 10.7282 2.868 2.868 8.1301 6.3981 7.2641 6.3981 8.9962 5.532 5.532 7.2641 9.8622 6.3981 4.6381 4.6381 8.1301 3.732 3.732 10.7282 9.8622 11.5942 10.7282 11.5942 2 2.8718 8.5976 9.3947 4.6453 4.6453 8.7501 8.1301 7.5101 9.3252 12.1312 10.7282 6.935 5.8611 12.1312 2.3079 1.4619 1.6921 3.4918 2.8742 2.2518 -0.595 -1.1192 0.9292 0.905 0.905 -0.595 -2.095 0.405 -0.595 0.405 0.405 0.905 -1.095 -1.1297 0.9397 1.905 -0.6158 0.4258 0.405 1.905 0.905 2.405 1.905 -0.6225 1.9291 -0.0699 -0.0699 -1.7496 1.5596 1.905 2.525 1.905 2.215 0.595 3.025 -2.405 -2.405 2.215 -0.0844 -0.3146 -1.1606 1.9268 2.5491 1.9315 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 9 9 9 10 12 12 14 15 17 19 20 21 22 10 11 11 13 10 13 14 15 19 20 17 18 18 21 22 23 23 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 430 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 1 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 00000371E07BB0000400000000000000000000000000000000003C6080000000000000B1F400001E02100000000C0EC19E2633F6F7481400A003266264008288292127A00998203EEE988D2EA2C5FBDB84342A6EC01B4AE827B0D0130E20400102000340004080020400068000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N2-[(2-chlorophenyl)methyl]-6,7-dimethoxy-N2-methyl-quinazoline-2,4-diamine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N2-[(2-chlorophenyl)methyl]-6,7-dimethoxy-N2-methylquinazoline-2,4-diamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-<I>N</I>-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2-<I>N</I>-methylquinazoline-2,4-diamine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-N-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N2-[(2-chlorophenyl)methyl]-6,7-dimethoxy-N2-methyl-quinazoline-2,4-diamine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (4-amino-6,7-dimethoxy-quinazolin-2-yl)-(2-chlorobenzyl)-methyl-amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H19ClN4O2/c1-23(10-11-6-4-5-7-13(11)19)18-21-14-9-16(25-3)15(24-2)8-12(14)17(20)22-18/h4-9H,10H2,1-3H3,(H2,20,21,22) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UHPKWUCWRIDDBX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.1196536 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H19ClN4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.8 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN(CC1=CC=CC=C1Cl)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN(CC1=CC=CC=C1Cl)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 73.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.1196536 25 0 0 0 0 0 0 0 1 -1