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 4.666 6.3981 4.666 5.5321 6.3981 3.8 4.666 7.2641 3.8 5.5321 2.9061 8.1301 2.9061 2 2 6.7966 5.9996 6.8656 7.6626 4.666 2.9132 8.4401 8.6671 7.8201 2.9132 1.4643 1.4643 5.203 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 3.4.6.11 Cactvs xemistry.com 2019.06.18 296 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 00000371C0723000000000000000000000000000000000000000304000000000000000810000001E00100800000C0C81980032C082C00200880225525000820000212200088801006CC8082632C0919184700866D401C8D90798C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-3-propyl-1H-quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-3-propyl-1H-quinolin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-3-propyl-1<I>H</I>-quinolin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-3-propyl-1H-quinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-oxidanyl-3-propyl-1H-quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-3-propyl-carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 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 1.0.5 InChI iupac.org 2019.06.18 CKETYLIKMVJPGC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 203.094628657 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C12H13NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 203.24 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCC1=C(C2=CC=CC=C2NC1=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCC1=C(C2=CC=CC=C2NC1=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 49.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 203.094628657 15 0 0 0 0 0 0 0 1 -1