54680429 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 8 8 7 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 2 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 9 11 11 12 12 12 13 13 14 14 15 7 28 10 9 10 20 5 7 10 8 16 17 7 9 11 12 18 19 13 14 21 22 23 24 15 25 15 26 27 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 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 5.4641 3.732 5.4641 4.5981 3.732 6.3301 5.4641 2.866 6.3301 4.5981 7.2241 2 7.2241 8.1301 8.1301 3.3335 4.1306 3.2646 2.4675 5.4641 7.2169 1.69 1.4631 2.31 7.2169 8.6659 8.6659 4.9272 -1.655 1.345 1.345 -0.155 -0.655 -0.155 -0.655 -0.155 0.845 0.845 -0.6897 -0.655 1.3797 -0.1758 0.8658 -1.13 -1.13 0.3199 0.3199 1.965 -1.3096 -0.1181 -0.965 -1.1919 1.9996 -0.4879 1.1779 -1.965 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 6 6 6 9 11 13 14 9 10 7 10 7 9 11 13 14 15 15 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.12.21 296 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.12.21 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.12.21 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.12.21 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.12.21 00000371C0723000000000000000000000000000000000000000304000000000000000810000001E00100800000C0C81980032C082C00200880225525000820000212200088801006CC8082632C0919184700866D401C8D90798C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2011.12.21 4-hydroxy-3-propyl-1H-quinolin-2-one IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2011.12.21 4-hydroxy-3-propyl-1H-quinolin-2-one IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2011.12.21 4-hydroxy-3-propyl-1H-quinolin-2-one IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2011.12.21 4-oxidanyl-3-propyl-1H-quinolin-2-one IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2011.12.21 4-hydroxy-3-propyl-carbostyril InChI Standard 1 1.0.4 InChI nist.gov 2011.12.21 InChI=1S/C12H13NO2/c1-2-5-9-11(14)8-6-3-4-7-10(8)13-12(9)15/h3-4,6-7H,2,5H2,1H3,(H2,13,14,15) InChIKey Standard 1 1.0.4 InChI nist.gov 2011.12.21 CKETYLIKMVJPGC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.12.21 2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.12.21 203.094629 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.12.21 C12H13NO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.12.21 203.23712 SMILES Canonical 1 1.7.6 OEChem openeye.com 2011.12.21 CCCC1=C(C2=CC=CC=C2NC1=O)O SMILES Isomeric 1 1.7.6 OEChem openeye.com 2011.12.21 CCCC1=C(C2=CC=CC=C2NC1=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.12.21 49.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.12.21 203.094629 15 0 0 0 0 0 0 0 1 15