44233474 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 8 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 2 2 2 3 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 12 12 13 14 14 15 16 16 17 17 18 18 19 19 20 20 21 21 21 22 22 23 23 24 25 13 6 7 8 9 10 36 11 12 13 11 15 9 26 27 10 28 29 11 30 31 32 33 34 35 16 17 14 15 18 19 20 21 22 37 23 38 24 39 25 40 41 42 43 25 44 24 45 46 47 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 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 4.666 6.3981 6.3981 5.5321 4.666 7.2641 5.5321 6.3981 7.2641 5.5321 5.5321 6.3981 4.666 3.8 3.8 6.3981 7.2641 2.9061 2.9061 7.2641 5.5321 8.1301 2 2 8.1301 7.4762 7.8747 4.9215 5.32 6.6101 7.0087 7.8747 7.4762 5.32 4.9215 6.3981 7.2641 2.9132 2.9132 7.2641 5.2221 4.9951 5.8421 8.6671 1.4643 1.4643 8.6671 -3.06 0.94 2.94 -1.56 -0.06 1.44 1.44 -0.06 2.44 2.44 -0.56 -2.06 -2.06 -1.56 -0.56 -3.06 -1.56 -2.0947 -0.0253 -3.56 -3.56 -2.06 -1.5808 -0.5392 -3.06 0.8574 1.5477 1.5477 0.8574 -0.6426 0.0477 2.3323 3.0226 3.0226 2.3323 3.56 -0.94 -2.7146 0.5946 -4.18 -3.0231 -3.87 -4.0969 -1.75 -1.8929 -0.2271 -3.37 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 12 12 13 14 14 15 16 17 18 19 20 22 23 11 13 11 15 16 17 14 15 18 19 20 22 23 24 25 25 24 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 514 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BA0000000000000000000000000000000000000003C6081000000000000814000001E00100000000C08C1980433C083C00000A802277274008200012502000988811864C808603AC0DD91942188609400C8C9C71888008E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(o-tolyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-methylphenyl)-2-(1-piperazinylmethyl)-4-quinazolinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-methylphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-methylphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-methylphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(o-tolyl)-2-(piperazinomethyl)quinazolin-4-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H22N4O/c1-15-6-2-5-9-18(15)24-19(14-23-12-10-21-11-13-23)22-17-8-4-3-7-16(17)20(24)25/h2-9,21H,10-14H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UPYQYAXNPQWMBI-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.17936134 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H22N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CN4CCNCC4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CN4CCNCC4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 47.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.17936134 25 0 0 0 0 0 0 0 1 -1