70115803 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 7 7 7 6 6 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 2 2 3 3 4 4 5 5 6 6 6 6 7 7 7 9 9 10 11 12 12 13 13 14 14 15 16 16 17 17 18 19 19 20 21 22 22 23 24 24 24 25 25 25 26 26 27 8 10 32 8 9 11 13 15 27 21 23 7 8 28 29 11 30 31 10 12 16 17 15 22 14 19 18 21 20 20 33 18 34 35 23 24 36 25 26 37 38 39 40 41 42 43 44 27 45 46 1 1 1 2 1 2 1 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 2 1 1 1 2 1 1 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 8.6529 8.6529 5.0693 12.2411 2 7.0693 6.5693 8.0693 9.5991 9.5991 5.5693 10.4651 4.0693 3.5693 11.3311 10.4651 5.0693 4.0693 3.5624 11.3311 2.5278 10.4491 2.5208 4.0724 2.0378 11.3471 12.2492 6.4866 7.1769 7.1519 6.4616 8.4603 10.4651 5.3793 3.7593 11.8681 9.9086 2.2129 4.6057 4.3886 3.5391 1.4973 1.734 2.5783 11.3447 12.7873 -1.8588 -0.2494 0.678 -0.0472 0.6939 -1.0541 -0.1881 -1.0541 -0.5541 -1.5541 -0.1881 -0.0541 0.678 -0.1881 -0.5541 -2.0541 -1.0541 -1.0541 1.588 -1.5541 -0.2041 0.9874 1.596 2.4482 -1.0759 1.5152 0.9944 -1.2661 -1.6647 0.024 0.4225 -2.4482 -2.6741 -1.591 -1.591 -1.8641 1.2912 2.1341 2.132 2.9815 2.7643 -0.7721 -1.6164 -1.3796 2.1352 1.3023 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 3 3 4 4 5 5 9 9 10 11 12 12 13 13 14 14 15 16 17 19 22 26 8 10 8 9 11 13 15 27 21 23 10 12 16 17 15 22 14 19 18 21 20 20 18 23 26 27 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 513 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B80000000000000000000000000000001600000003C58B1000000000058B1FE00001C00100000000C08C11F043FD0F6C99000A0033667640082802DB112A009D9203874988868E2C0D9D1942408689002C8C8271080C00E00008040040200200001008008040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3H-imidazo[4,5-f]quinoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3H-imidazo[4,5-f]quinoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3<I>H</I>-imidazo[4,5-f]quinoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3H-imidazo[4,5-f]quinoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3H-imidazo[4,5-f]quinoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3H-imidazo[4,5-f]quinoline InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H19N5/c1-13-12-24-14(2)16-7-5-15(25-21(13)16)6-10-20-26-19-9-8-18-17(22(19)27-20)4-3-11-23-18/h3-5,7-9,11-12H,6,10H2,1-2H3,(H,26,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CLWKFKQHLWNLRB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 353.16404563 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H19N5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 353.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CN=C(C2=C1N=C(C=C2)CCC3=NC4=C(N3)C=CC5=C4C=CC=N5)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CN=C(C2=C1N=C(C=C2)CCC3=NC4=C(N3)C=CC5=C4C=CC=N5)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 67.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 353.16404563 27 0 0 0 0 0 0 0 1 -1