54679578 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 17 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 5 6 6 6 7 7 7 8 8 9 9 9 10 11 12 12 14 14 15 15 17 17 18 19 20 20 20 11 27 13 16 19 10 13 21 8 16 26 19 28 10 11 14 15 12 13 16 17 22 18 23 18 24 25 20 29 30 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 2 2 2 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 10.7282 4.666 6.3981 6.3981 8.9962 4.666 7.2641 8.1301 3.8 3.8 4.666 5.5321 5.5321 2.9061 2.9061 6.3981 2 2 8.9962 9.8622 4.666 2.9132 2.9132 1.4643 1.4643 7.2641 4.1291 8.1301 10.2607 9.4637 0.155 1.655 -1.345 1.655 -0.845 -1.345 0.155 0.655 0.155 -0.845 0.655 0.155 -0.845 0.6897 -1.3797 0.655 0.1758 -0.8658 0.155 0.655 -1.965 1.3096 -1.9996 0.4879 -1.1779 -0.465 1.965 1.275 1.13 1.13 8 8 8 8 8 8 8 8 8 8 8 6 6 9 9 9 10 11 12 14 15 17 10 13 10 11 14 15 12 13 17 18 18 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 477 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0733800040000000000000000000000000000000000304000000000000000810000001E02180800000C0F81984030C082E202008802255250008200002122021AA801006CC848262AC8D19184700866D401C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-(2-chloro-1-oxoethyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>&apos;-(2-chloroacetyl)-4-hydroxy-2-oxo-1<I>H</I>-quinoline-3-carbohydrazide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-(2-chloranylethanoyl)-4-oxidanyl-2-oxidanylidene-1H-quinoline-3-carbohydrazide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-(2-chloroacetyl)-4-hydroxy-2-keto-1H-quinoline-3-carbohydrazide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C12H10ClN3O4/c13-5-8(17)15-16-12(20)9-10(18)6-3-1-2-4-7(6)14-11(9)19/h1-4H,5H2,(H,15,17)(H,16,20)(H2,14,18,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WKYPWNQLZYITNU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 295.0359835 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C12H10ClN3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 295.68 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)NNC(=O)CCl)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)NNC(=O)CCl)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 108 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 295.0359835 20 0 0 0 0 0 0 0 1 -1