345512 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 8 8 8 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 2 2 3 4 4 4 5 5 5 6 6 7 7 8 8 9 10 10 11 11 12 13 14 14 16 17 17 17 18 18 18 19 19 19 20 20 21 21 22 22 23 24 24 24 5 9 13 24 15 6 10 19 11 17 18 7 8 9 12 13 15 16 14 20 12 25 26 16 15 21 27 28 29 30 31 32 33 34 35 36 22 37 23 38 23 39 40 41 42 43 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 2 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 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 4.6176 2.8718 3.7759 6.374 5.5572 5.508 5.524 4.6419 4.626 6.374 6.4927 6.476 3.7319 5.508 4.6419 3.7239 6.0606 5.0606 7.24 7.284 5.4919 7.292 6.3899 2 7.0332 7.0068 3.1858 5.5248 6.3726 6.5963 4.5225 4.7527 5.5987 6.93 7.777 7.55 7.8173 4.9514 7.8301 6.3876 1.6962 1.4595 2.3038 -2.4065 0.7508 2.2477 0.7477 -2.949 0.2477 -0.7938 0.7477 -1.3216 1.7477 -2.3993 -1.3144 0.2409 2.2477 1.7477 -0.8007 -3.8131 -3.817 0.2477 2.2546 3.2892 3.2962 3.817 0.2609 -2.7031 -0.9941 -1.1087 -4.1252 -4.3488 -3.501 -3.509 -4.3551 -4.1249 -0.2892 -0.0623 0.7846 1.9384 3.593 3.6041 4.437 0.8014 -0.0429 -0.2796 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 7 8 8 9 10 10 13 14 14 20 21 22 6 10 7 8 9 13 15 16 14 20 16 15 21 22 23 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 543 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A30000000000000000000000000000000000000003C6081000000000000B14000001E00000000000C4C81980632C6830004008802A45240008208002522000888010E6CC80C277EC4B59B8639E8E7E01DC8E9C798FCEFCE2000020A000A00004000041400140000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methoxy-3,3,12-trimethyl-pyrano[2,3-c]acridin-7-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methoxy-3,3,12-trimethyl-7-pyrano[2,3-c]acridinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methoxy-3,3,12-trimethyl-pyrano[2,3-c]acridin-7-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methoxy-3,3,12-trimethyl-pyran[2,3-c]acridin-7-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H19NO3/c1-20(2)10-9-13-15(24-20)11-16(23-4)17-18(13)21(3)14-8-6-5-7-12(14)19(17)22/h5-11H,1-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SMPZPKRDRQOOHT-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 321.13649347 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H19NO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 321.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 38.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 321.13649347 24 0 0 0 0 0 0 0 1 -1