70152157 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 48 49 50 8 8 7 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 1 2 2 3 3 3 4 4 4 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 13 14 14 15 16 16 17 17 18 18 19 19 20 21 21 22 22 23 24 25 26 26 26 27 27 27 23 26 24 27 8 9 12 10 11 36 12 13 12 15 13 18 37 10 28 29 11 30 31 32 33 34 35 14 15 16 17 19 38 20 39 21 22 20 40 41 23 42 25 43 24 25 44 45 46 47 48 49 50 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 2 1 1 1 1 2 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 45 46 47 48 49 50 6.3981 8.1301 6.3981 8.1301 5.5321 4.666 4.666 7.2641 6.3981 8.1301 7.2641 5.5321 4.666 3.8 3.8 2.9061 2.9061 5.5321 2 2 5.5321 6.3981 6.3981 7.2641 7.2641 5.5321 8.9962 6.8656 7.6626 6.186 5.7875 8.3422 8.7407 7.6626 6.8656 8.6671 4.1291 2.9132 2.9132 1.4643 1.4643 4.9951 6.3981 7.801 5.2221 4.9951 5.8421 9.3062 9.5331 8.6862 -3.5 -2.5 2.5 3.5 1 2.5 -0.5 2 3.5 2.5 4 2 0.5 1 2 0.4653 2.5347 -1 0.9792 2.0208 -2 -0.5 -2.5 -2 -1 -4 -2 1.525 1.525 4.0826 3.3923 1.9174 2.6077 4.475 4.475 3.81 -0.81 -0.1546 3.1546 0.6671 2.3329 -2.31 0.12 -0.69 -3.4631 -4.31 -4.5369 -2.5369 -1.69 -1.4631 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 13 14 14 15 16 17 18 18 19 21 22 23 24 12 13 12 15 14 15 16 17 19 20 21 22 20 23 25 24 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 462 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 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 00000371E07BB0000000000000000000000000000000000000003C7881000000000000B1F400001E00100000000C0CC19E0633F6F7C81400A003266264008288292122A00998A03EEC988D6EE2C4F9DB94342A6ED01BCAE827B0D0030E00400002000240000080000400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-quinazolin-4-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3,4-dimethoxyphenyl)-2-(1-piperazinyl)-4-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(3,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-quinazolin-4-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (3,4-dimethoxyphenyl)-(2-piperazinoquinazolin-4-yl)amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H23N5O2/c1-26-17-8-7-14(13-18(17)27-2)22-19-15-5-3-4-6-16(15)23-20(24-19)25-11-9-21-10-12-25/h3-8,13,21H,9-12H2,1-2H3,(H,22,23,24) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NOPBLWOROFDLCR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 365.18517499 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H23N5O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 365.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C(C=C1)NC2=NC(=NC3=CC=CC=C32)N4CCNCC4)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C(C=C1)NC2=NC(=NC3=CC=CC=C32)N4CCNCC4)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 71.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 365.18517499 27 0 0 0 0 0 0 0 1 -1