99600 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 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 1 1 2 2 3 3 3 4 4 5 5 5 5 6 6 7 8 9 9 10 10 10 10 11 11 12 12 13 14 15 15 15 16 16 16 17 17 18 18 19 20 21 21 21 22 22 22 4 9 14 8 14 4 7 8 23 24 6 15 16 25 7 12 26 13 17 18 11 21 22 27 19 20 13 28 29 30 31 32 33 34 35 36 19 37 20 38 39 40 41 42 43 44 45 46 1 1 1 1 2 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 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 7.2641 6.3981 5.532 6.3981 2.868 3.732 4.6381 5.532 8.1301 10.7282 9.8622 3.732 4.6381 7.2641 2 2.8718 8.1301 8.9962 8.9962 9.8622 11.5942 10.7282 5.9995 6.7966 2.3322 4.6453 10.1913 3.1963 4.6453 7.801 2.3079 1.4619 1.6921 2.2518 2.8742 3.4918 7.5932 8.9962 8.9962 10.3991 11.9042 12.1312 11.2842 10.1082 10.7282 11.3482 0.7327 2.2327 0.7327 0.2327 0.2085 0.7119 0.198 1.7327 0.2327 -1.2673 -0.7673 1.7535 2.2673 1.7327 0.7052 -0.7915 -0.7673 0.7327 -1.2673 0.2327 -0.7673 -2.2673 -0.2423 -0.2423 -0.1035 -0.422 -1.5773 2.0656 2.8873 2.0427 1.2433 1.0131 0.1671 -0.7939 -1.4115 -0.7891 -1.0773 1.3527 -1.8873 0.5427 -1.3043 -0.4573 -0.2304 -2.2673 -2.8873 -2.2673 8 8 8 8 8 8 8 8 8 8 8 8 3 3 6 6 8 9 9 11 11 12 17 18 7 8 7 12 13 17 18 19 20 13 19 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 379 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B0000000000000000000000000000000000000000306080000000000000814000001C00000000000D08C1180433C083000000A00224436400820001210200098800086488082022C0D991842008608000C8C8071080C00E88000200000200001000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-isopropyl-3-(4-isopropylphenyl)-4H-quinazoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-propan-2-yl-3-(4-propan-2-ylphenyl)-4H-quinazoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-propan-2-yl-3-(4-propan-2-ylphenyl)-4<I>H</I>-quinazoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-propan-2-yl-3-(4-propan-2-ylphenyl)-4H-quinazoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-propan-2-yl-3-(4-propan-2-ylphenyl)-4H-quinazoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-isopropyl-3-p-cumenyl-4H-quinazoline InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H24N2/c1-14(2)16-5-8-19(9-6-16)22-12-18-11-17(15(3)4)7-10-20(18)21-13-22/h5-11,13-15H,12H2,1-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HPYGVQVYBLTAJP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 292.193948774 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H24N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 292.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)C1=CC=C(C=C1)N2CC3=C(C=CC(=C3)C(C)C)N=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)C1=CC=C(C=C1)N2CC3=C(C=CC(=C3)C(C)C)N=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 15.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 292.193948774 22 0 0 0 0 0 0 0 1 1