9823820 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 48 49 17 8 8 8 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 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 14 14 15 16 16 17 17 17 18 18 19 20 21 22 23 23 24 24 25 26 27 27 28 30 30 30 15 13 18 19 25 30 29 10 13 36 13 14 37 20 28 29 48 49 11 12 31 12 32 33 34 35 15 16 21 22 38 19 20 23 21 22 27 26 39 40 24 41 25 29 26 42 28 43 44 45 46 47 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 2 1 1 1 1 1 2 1 1 1 2 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 48 49 8.0437 10.6705 6.3465 2.866 2 11.5192 9.7872 6.358 2.866 12.3909 12.9009 13.3908 10.659 8.927 8.0553 8.9386 5.4641 7.2067 6.358 5.4641 7.1951 8.0784 4.5981 3.732 3.732 4.5981 7.2641 7.2641 2.866 2.866 12.5444 12.4306 13.3804 13.9759 13.4914 11.512 9.78 9.4791 6.6546 8.0856 4.5981 4.5981 7.7998 7.7998 2.246 2.866 3.486 2.3291 3.403 3.5272 1.0574 0.5074 -2.5272 -1.0272 2.5673 2.5473 -2.5619 0.4728 2.0774 1.2172 2.089 2.0574 2.0373 2.5273 1.0374 -1.0272 1.0174 -0.4926 -2.0272 2.0173 0.5274 -0.5272 -1.0272 -2.0272 -2.5272 -1.0064 -2.048 -0.5272 -3.5272 2.6781 0.8132 0.8242 1.8836 2.7007 3.1873 3.1673 0.7336 2.3211 -0.0925 0.0928 -3.1472 -0.6943 -2.3601 -3.5272 -4.1472 -3.5272 0.7828 0.7828 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 14 14 15 16 17 17 17 18 18 19 20 23 24 25 27 20 28 15 16 21 22 19 20 23 21 22 27 26 24 25 26 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 634 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB8000400000000000000000018000000000000003C6080000000000000B1F400001E02100000000C2EC19E263FC6F2C81400A8033577540082882035272008D8A13E6ED88C26F6C5B79BC63968EEF61BC8E9A7B8FDEFDE28400203000A00105080040600140020000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[3-chloro-4-[[(cyclopropylamino)-oxomethyl]amino]phenoxy]-7-methoxy-6-quinolinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[3-chloranyl-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WOSKHXYHFSIKNG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 426.1094828 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H19ClN4O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 426.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 116 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 426.1094828 30 0 0 0 0 0 0 0 1 -1