52109242 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 1 2 2 2 3 3 4 4 5 5 5 6 6 6 6 7 7 7 8 8 8 9 9 10 10 11 12 12 13 14 14 16 16 17 17 18 19 19 20 21 21 22 22 23 23 24 25 25 25 20 25 9 10 11 11 15 13 15 15 19 39 7 8 26 27 9 28 29 10 30 31 32 33 34 35 12 13 14 16 17 36 18 37 18 38 40 20 21 22 23 41 24 42 24 43 44 45 46 47 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 2 2 1 1 1 1 2 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 8.1301 4.666 5.5321 4.666 6.3981 4.666 3.8 5.5321 3.8 5.5321 4.666 3.8 3.8 2.9061 5.5321 2.9061 2 2 6.3981 7.2641 5.5321 7.2641 5.5321 6.3981 8.9962 4.2675 5.0646 3.1894 3.588 5.7441 6.1426 3.588 3.1894 6.1426 5.7441 2.9132 2.9132 1.4643 6.935 1.4643 4.9951 7.801 4.9951 6.3981 9.3062 9.5331 8.6862 2 -2 -0.5 1 1 -4 -3.5 -3.5 -2.5 -2.5 -1 -0.5 0.5 -1.0347 0.5 1.0347 -0.5208 0.5208 2 2.5 2.5 3.5 3.5 4 2.5 -4.475 -4.475 -3.3923 -4.0826 -4.0826 -3.3923 -1.9174 -2.6077 -2.6077 -1.9174 -1.6546 1.6546 -0.8329 0.69 0.8329 2.19 3.81 3.81 4.62 1.9631 2.81 3.0369 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 11 12 12 13 14 16 17 19 19 20 21 22 23 11 15 13 15 12 13 14 16 17 18 18 20 21 22 23 24 24 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 415 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BA0000000000000000000000000000000000000003C7881000000000000B1F400001E00100000000C0CC19E0633F6F7C81400A003266264008288292122A00998203F6C988E2EA2C4F9DB8534286CD013D8E82790C0000E00000000000210000000000000042000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-methoxyphenyl)-4-(1-piperidyl)quinazolin-2-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-methoxyphenyl)-4-(1-piperidinyl)-2-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(2-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-methoxyphenyl)-4-piperidin-1-yl-quinazolin-2-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2-methoxyphenyl)-(4-piperidinoquinazolin-2-yl)amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H22N4O/c1-25-18-12-6-5-11-17(18)22-20-21-16-10-4-3-9-15(16)19(23-20)24-13-7-2-8-14-24/h3-6,9-12H,2,7-8,13-14H2,1H3,(H,21,22,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YDTLCMOPJKGCPS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.7 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 COC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=N2)N4CCCCC4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=N2)N4CCCCC4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 50.3 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